Molecular Details

DICL_CP_0421690 - 5-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)pyrazole-3-carboxamide

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0421690

PubChem CID

11271640

Molecular Formula

C₁₈H₁₄BrCl₂N₅O₂

Molecular Weight

483.153 g/mol

Synonyms/Alias

[Chlorantraniliprole; 500008-45-7; CHLOANTRANILIPROLE; DPX-E2Y45; chlorantranilipole; Rynaxpyr; Rynaxypyr; Chlorantraniliprole [ISO]; UNII-622AK9DH9G; 622AK9DH9G; CHEBI:67113; HSDB 7877; CHEMBL399318;...[Chlorantraniliprole; 500008-45-7; CHLOANTRANILIPROLE; DPX-E2Y45; chlorantranilipole; Rynaxpyr; Rynaxypyr; Chlorantraniliprole [ISO]; UNII-622AK9DH9G; 622AK9DH9G; CHEBI:67113; HSDB 7877; CHEMBL399318; DTXSID2044345; 3-bromo-N-(4-chloro-2-methyl-6-((methylamino)carbonyl)phenyl)-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 3-bromo-4-chloro-1-(3-chloro-2-pyridyl)-2-methyl-6-(methylcarbamoyl)pyrazole-5carboxanilide; 3-bromo-N-(4-chloro-2-methyl-6-(methylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide; 5-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)pyrazole-3-carboxamide; 3-bromo-4-chloro-1-(3-chloro-2-pyridyl)-2-methyl-6-(methylcarbamoyl)pyrazole-5-carboxanilide; 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide; 3-Bromo-N-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide; Coragen; F0U; SCHEMBL29551; CHLORANTRANILIPROLE [MI]; DTXCID0024345; GLXC-15702; BCP12712; DKI 0001; BDBM50222771; MFCD11840831; AKOS015895788; DS-9084; USEPA/OPP Pesticide Code: 090100; 1H-Pyrazole-5-carboxamide; 3-bromo-N-; 3-bromo-4-chloro-1-(3-chloro-2-pyridyl)-2?-methyl-6-(methylcarbamoyl)pyrazole-5-carboxanilide; DB-071077; HY-112820; CS-0065743; NS00002799; C18454; A827923; Chlorantraniliprole 100 microg/mL in Acetonitrile; Q2301181; Chlorantraniliprole; PESTANAL(R); analytical standard; 3-bromo-N-[4-chloro-2-methyl-6- [(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 3-bromo-N-[4-chloro-2-methyl-6-[(methyl-amino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 3-bromo-N-[4-chloro-2-methyl-6-[(methylamino)-carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 3-Bromo-N-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3- chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide; 5-bromo-N-[2-chloro-4-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-3-pyrazolecarboxamide; Pesticide4_Chlorantraniliprole_C18H14BrCl2N5O2_3-Bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide]

InChI Key

PSOVNZZNOMJUBI-UHFFFAOYSA-N

InChI

InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3...

IUPAC Name

5-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)pyrazole-3-carboxamide

CAS Number

500008-45-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

28 30 0 0 0 0 0 0 0 0999 V2000
-0.6645 -2.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0825 -1.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -2...

Download SDF File (2491 bytes)

Experimental Data

Activity Data

Target Ion Channel

Ryanodine receptor 1

Uniprot Accession Number

F1LMY4

Function

Inhibitor

Species

Rattus norvegicus (Rat)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

K_i: 400 nM

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

Not specified

Temperature

37 °C

Test Method

Binding assay ([3H] ryanodine)

Test Species

Not specified

Binding Information

Binding Site

Transmembrane domain

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1152/japplphysiol.00123.2010

URL

N/A (Not available)

PMID

20576841

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.2569

Complexity

111.6014

TPSA (Å²)

88.91

H-Bond Donors

H-Bond Acceptors

Ring Count

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