3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid

C17H15ClN4O3 — CID 22387854

IUPAC3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCC(=O)Nc1ccc(Cn2c(C)nc3ccc(C(=O)O)nc32)c(Cl)c1
InChIInChI=1S/C17H15ClN4O3/c1-9-19-14-5-6-15(17(24)25)21-16(14)22(9)8-11-3-4-12(7-13(11)18)20-10(2)23/h3-7H,8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyBIHSAMMHICRINB-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.10
Rot. Bonds4

About 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid

3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 22387854) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID22387854
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCC(=O)Nc1ccc(Cn2c(C)nc3ccc(C(=O)O)nc32)c(Cl)c1
InChIInChI=1S/C17H15ClN4O3/c1-9-19-14-5-6-15(17(24)25)21-16(14)22(9)8-11-3-4-12(7-13(11)18)20-10(2)23/h3-7H,8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyBIHSAMMHICRINB-UHFFFAOYSA-N
XLogP3.10
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(butylamino)-2-chlorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388233
3-[[2-chloro-4-[(E)-2-phenylethenyl]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387747
3-[(4-chloro-2-methylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388375
3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388248
3-[[2-chloro-4-(methylamino)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485047
methyl 3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388085
propan-2-yl N-[4-[[5-(butylsulfonylcarbamoyl)-2-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-chlorophenyl]carbamate
CID 22485231
propan-2-yl N-[3-chloro-4-[[2-methyl-5-[[(E)-pent-1-enyl]sulfonylcarbamoyl]imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]carbamate
CID 22485197
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388026
N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388457
3-[(4-bromo-2-chlorophenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22387900

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid (CID 22387854) is 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid is CC(=O)Nc1ccc(Cn2c(C)nc3ccc(C(=O)O)nc32)c(Cl)c1.
What is the InChIKey of 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is BIHSAMMHICRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-9-19-14-5-6-15(17(24)25)21-16(14)22(9)8-11-3-4-12(7-13(11)18)20-10(2)23/h3-7H,8H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 358.79 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamido-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22387854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).