2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide

C22H17ClF3N5O2 — CID 46879657

IUPAC2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H17ClF3N5O2/c23-16-7-2-1-5-14(16)11-28-21-30-20-18(9-8-17(29-20)19(27)32)31(21)12-13-4-3-6-15(10-13)33-22(24,25)26/h1-10H,11-12H2,(H2,27,32)(H,28,29,30)
InChIKeyNVPJPSUHTOMDOG-UHFFFAOYSA-N
MW475.86 g/mol
LogP4.74
Rot. Bonds7

About 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879657) has the molecular formula C22H17ClF3N5O2 and a molecular weight of 475.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879657
Molecular FormulaC22H17ClF3N5O2
Molecular Weight475.86 g/mol
Exact Mass475.10
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H17ClF3N5O2/c23-16-7-2-1-5-14(16)11-28-21-30-20-18(9-8-17(29-20)19(27)32)31(21)12-13-4-3-6-15(10-13)33-22(24,25)26/h1-10H,11-12H2,(H2,27,32)(H,28,29,30)
InChIKeyNVPJPSUHTOMDOG-UHFFFAOYSA-N
XLogP4.74
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.86
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl)amino}-1H-1,3-benzodiazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 22041261
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
2-(4-(4-chlorophenoxy)phenyl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 10292251
(2-Chlorophenyl)-[2-(2,6-difluorophenoxy)-9-ethylpurin-8-yl]methanone
CID 24857107
7-chloro-2-ethyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235224
7-chloro-2-ethyl-N-[[4-[N-methyl-4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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2-Chloro-N-({3-[(3-methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)-5-nitrobenzamide
CID 16031380
6-chloro-N,N-dimethyl-3-({[3-(trifluoromethoxy)benzyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 16190026
2-[(2-Chlorophenyl)methylamino]-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879618
2-(2-chlorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24779898
US10759794, Example 24
CID 129225876

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 46879657) is 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide is NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is NVPJPSUHTOMDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2/c23-16-7-2-1-5-14(16)11-28-21-30-20-18(9-8-17(29-20)19(27)32)31(21)12-13-4-3-6-15(10-13)33-22(24,25)26/h1-10H,11-12H2,(H2,27,32)(H,28,29,30).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 475.86 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).