6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

C23H21ClN4O3 — CID 134808117

IUPAC6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc3nc(-c4ccccc4)c(Cl)cc3n2C)cc1OC
InChIInChI=1S/C23H21ClN4O3/c1-28-17-12-16(24)20(15-7-5-4-6-8-15)26-21(17)27-22(28)23(29)25-13-14-9-10-18(30-2)19(11-14)31-3/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyMUIITROURGLHOV-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.24
Rot. Bonds6

About 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 134808117) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID134808117
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc3nc(-c4ccccc4)c(Cl)cc3n2C)cc1OC
InChIInChI=1S/C23H21ClN4O3/c1-28-17-12-16(24)20(15-7-5-4-6-8-15)26-21(17)27-22(28)23(29)25-13-14-9-10-18(30-2)19(11-14)31-3/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyMUIITROURGLHOV-UHFFFAOYSA-N
XLogP4.24
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cambritaxestat
CID 122199235
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 162673361
2-amino-N-[3-[[6-(3,4-dimethoxyphenyl)-7H-purin-2-yl]amino]phenyl]acetamide
CID 57396924
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 84297283
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445575
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445589
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1207917
1-[3-[(3-Methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
CID 1463467
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 2533606
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 2649578
N-benzyl-2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 3205789

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (CID 134808117) is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2nc3nc(-c4ccccc4)c(Cl)cc3n2C)cc1OC.
What is the InChIKey of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is MUIITROURGLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-28-17-12-16(24)20(15-7-5-4-6-8-15)26-21(17)27-22(28)23(29)25-13-14-9-10-18(30-2)19(11-14)31-3/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 134808117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).