2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide

C21H20ClF4N5O — CID 45137819

IUPAC2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)ncc21
InChIInChI=1S/C21H20ClF4N5O/c1-31-17-10-27-16(19(32)28-12-7-5-11(6-8-12)21(24,25)26)9-15(17)29-20(31)30-18-13(22)3-2-4-14(18)23/h2-4,9-12H,5-8H2,1H3,(H,28,32)(H,29,30)
InChIKeyFJSWRYIFLFVSDC-UHFFFAOYSA-N
MW469.87 g/mol
LogP5.36
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide

2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45137819) has the molecular formula C21H20ClF4N5O and a molecular weight of 469.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID45137819
Molecular FormulaC21H20ClF4N5O
Molecular Weight469.87 g/mol
Exact Mass469.13
IUPAC Name2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)ncc21
InChIInChI=1S/C21H20ClF4N5O/c1-31-17-10-27-16(19(32)28-12-7-5-11(6-8-12)21(24,25)26)9-15(17)29-20(31)30-18-13(22)3-2-4-14(18)23/h2-4,9-12H,5-8H2,1H3,(H,28,32)(H,29,30)
InChIKeyFJSWRYIFLFVSDC-UHFFFAOYSA-N
XLogP5.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.87
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 58562391
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[2,6-dichloro-3-[[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 67978805
2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropanoyl)amino]methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-6-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole-5-carboxamide
CID 88539190
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 62233843
2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 162546256
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 45137916
2-[3-(aminomethyl)-2,6-dichloroanilino]-6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 67957359
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[2,6-dichloro-3-[(2-hydroxypropanoylamino)methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 123792307
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 45137819) is 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide is Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)ncc21.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is FJSWRYIFLFVSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF4N5O/c1-31-17-10-27-16(19(32)28-12-7-5-11(6-8-12)21(24,25)26)9-15(17)29-20(31)30-18-13(22)3-2-4-14(18)23/h2-4,9-12H,5-8H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide?
2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 469.87 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45137819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).