2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C15H19N3O2 — CID 114458333

IUPAC2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CC3CCCCCC3)[nH]c12
InChIInChI=1S/C15H19N3O2/c19-15(20)11-7-8-16-14-13(11)17-12(18-14)9-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,19,20)(H,16,17,18)
InChIKeyITQQNBSQCGNAEK-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.17
Rot. Bonds3

About 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 114458333) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID114458333
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CC3CCCCCC3)[nH]c12
InChIInChI=1S/C15H19N3O2/c19-15(20)11-7-8-16-14-13(11)17-12(18-14)9-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,19,20)(H,16,17,18)
InChIKeyITQQNBSQCGNAEK-UHFFFAOYSA-N
XLogP3.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 122687174
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582644
2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582616
2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938337
[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 138050918
2-(thian-2-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582636
[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone
CID 164642388
2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582740
N-(5-chloro-1-methylpyrazol-4-yl)-2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 167957820
2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938333
2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582742
6-bromo-2-(cyclobutylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 114263397

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 114458333) is 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(CC3CCCCCC3)[nH]c12.
What is the InChIKey of 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is ITQQNBSQCGNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20)11-7-8-16-14-13(11)17-12(18-14)9-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 114458333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).