3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid

C18H19N3O2 — CID 19385689

IUPAC3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-3-7-15-20-16-12(2)10-14(18(22)23)19-17(16)21(15)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,22,23)
InChIKeyKCPYXBXAPCQYID-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.44
Rot. Bonds5

About 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid

3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 19385689) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID19385689
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-3-7-15-20-16-12(2)10-14(18(22)23)19-17(16)21(15)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,22,23)
InChIKeyKCPYXBXAPCQYID-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-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 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid (CID 19385689) is 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid is CCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is KCPYXBXAPCQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-7-15-20-16-12(2)10-14(18(22)23)19-17(16)21(15)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,22,23).
What are the key properties of 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid?
3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19385689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).