4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid

C19H21N3O2 — CID 82070616

IUPAC4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
SMILESCCCCc1nc2cc(C)cnc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21N3O2/c1-3-4-5-17-21-16-10-13(2)11-20-18(16)22(17)12-14-6-8-15(9-7-14)19(23)24/h6-11H,3-5,12H2,1-2H3,(H,23,24)
InChIKeyHRLXDPWUFPDERO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.83
Rot. Bonds6

About 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid

4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid (PubChem CID 82070616) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
PubChem CID82070616
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
SMILESCCCCc1nc2cc(C)cnc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21N3O2/c1-3-4-5-17-21-16-10-13(2)11-20-18(16)22(17)12-14-6-8-15(9-7-14)19(23)24/h6-11H,3-5,12H2,1-2H3,(H,23,24)
InChIKeyHRLXDPWUFPDERO-UHFFFAOYSA-N
XLogP3.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
4-[[2-butyl-5-(1-carboxyethenyl)imidazol-1-yl]methyl]benzoic acid
CID 22464021
4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
CID 19349828
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
4-[[2-butyl-5-(piperazine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid
CID 67300414
N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197681
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
CID 3205882
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid (CID 82070616) is 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid is CCCCc1nc2cc(C)cnc2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
The InChIKey is HRLXDPWUFPDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-4-5-17-21-16-10-13(2)11-20-18(16)22(17)12-14-6-8-15(9-7-14)19(23)24/h6-11H,3-5,12H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid?
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid has a molecular weight of 323.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid is sourced from PubChem (CID 82070616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).