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

C17H19N5O2 — CID 69258409

IUPAC2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCN(C)CCNc1ccc(-c2nc3nccc(C(=O)O)c3[nH]2)cc1
InChIInChI=1S/C17H19N5O2/c1-22(2)10-9-18-12-5-3-11(4-6-12)15-20-14-13(17(23)24)7-8-19-16(14)21-15/h3-8,18H,9-10H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyYTHVZLQCXJKFCN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds6

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

2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 69258409) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID69258409
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCN(C)CCNc1ccc(-c2nc3nccc(C(=O)O)c3[nH]2)cc1
InChIInChI=1S/C17H19N5O2/c1-22(2)10-9-18-12-5-3-11(4-6-12)15-20-14-13(17(23)24)7-8-19-16(14)21-15/h3-8,18H,9-10H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyYTHVZLQCXJKFCN-UHFFFAOYSA-N
XLogP2.30
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 69258409) is 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is CN(C)CCNc1ccc(-c2nc3nccc(C(=O)O)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is YTHVZLQCXJKFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22(2)10-9-18-12-5-3-11(4-6-12)15-20-14-13(17(23)24)7-8-19-16(14)21-15/h3-8,18H,9-10H2,1-2H3,(H,23,24)(H,19,20,21).
What are the key properties of 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 69258409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).