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

C15H13N3O2 — CID 115938337

IUPAC2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CCc3ccccc3)[nH]c12
InChIInChI=1S/C15H13N3O2/c19-15(20)11-8-9-16-14-13(11)17-12(18-14)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H,16,17,18)
InChIKeyRMOJNKALTNYFDB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.44
Rot. Bonds4

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

2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 115938337) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID115938337
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CCc3ccccc3)[nH]c12
InChIInChI=1S/C15H13N3O2/c19-15(20)11-8-9-16-14-13(11)17-12(18-14)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H,16,17,18)
InChIKeyRMOJNKALTNYFDB-UHFFFAOYSA-N
XLogP2.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582616
2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582740
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582644
2-(cycloheptylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114458333
2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938333
2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103936814
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
2-(6-methyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582603
8-(4-phenylbutyl)-7H-purin-6-amine
CID 4019685
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 118484953

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 115938337) is 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(CCc3ccccc3)[nH]c12.
What is the InChIKey of 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is RMOJNKALTNYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)11-8-9-16-14-13(11)17-12(18-14)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 115938337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).