3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

C23H22ClN5O3S — CID 22485047

IUPAC3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCNc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)c4ccc(C)cc4)nc32)c(Cl)c1
InChIInChI=1S/C23H22ClN5O3S/c1-14-4-8-18(9-5-14)33(31,32)28-23(30)21-11-10-20-22(27-21)29(15(2)26-20)13-16-6-7-17(25-3)12-19(16)24/h4-12,25H,13H2,1-3H3,(H,28,30)
InChIKeyNHLUHNOFVVLERH-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.91
Rot. Bonds6

About 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide

3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 22485047) has the molecular formula C23H22ClN5O3S and a molecular weight of 483.98 g/mol. Its IUPAC name is 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID22485047
Molecular FormulaC23H22ClN5O3S
Molecular Weight483.98 g/mol
Exact Mass483.11
IUPAC Name3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCNc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)c4ccc(C)cc4)nc32)c(Cl)c1
InChIInChI=1S/C23H22ClN5O3S/c1-14-4-8-18(9-5-14)33(31,32)28-23(30)21-11-10-20-22(27-21)29(15(2)26-20)13-16-6-7-17(25-3)12-19(16)24/h4-12,25H,13H2,1-3H3,(H,28,30)
InChIKeyNHLUHNOFVVLERH-UHFFFAOYSA-N
XLogP3.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(butylsulfonylamino)-2-chlorophenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485051
3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485131
3-[[2-chloro-4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388018
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388457
3-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22387921
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485067
tert-butyl N-[5-chloro-6-[[2-methyl-5-[(4-methylphenyl)sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]-3-pyridinyl]carbamate
CID 22485224
sodium;3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide;hydride
CID 173206807
3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387854
3-[[2-chloro-4-[methyl(propyl)amino]phenyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485135

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide (CID 22485047) is 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is CNc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)c4ccc(C)cc4)nc32)c(Cl)c1.
What is the InChIKey of 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is NHLUHNOFVVLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3S/c1-14-4-8-18(9-5-14)33(31,32)28-23(30)21-11-10-20-22(27-21)29(15(2)26-20)13-16-6-7-17(25-3)12-19(16)24/h4-12,25H,13H2,1-3H3,(H,28,30).
What are the key properties of 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide?
3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 22485047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).