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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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).