5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid

C12H15N3O2 — CID 63757796

IUPAC5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
SMILESCn1c(CCCCC(=O)O)nc2cccnc21
InChIInChI=1S/C12H15N3O2/c1-15-10(6-2-3-7-11(16)17)14-9-5-4-8-13-12(9)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyYYQPSBSTIXJZSF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds5

About 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid

5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid (PubChem CID 63757796) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
PubChem CID63757796
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
SMILESCn1c(CCCCC(=O)O)nc2cccnc21
InChIInChI=1S/C12H15N3O2/c1-15-10(6-2-3-7-11(16)17)14-9-5-4-8-13-12(9)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyYYQPSBSTIXJZSF-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic 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 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid?
The IUPAC name of 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid (CID 63757796) is 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid?
The canonical SMILES for 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid is Cn1c(CCCCC(=O)O)nc2cccnc21.
What is the InChIKey of 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid?
The InChIKey is YYQPSBSTIXJZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10(6-2-3-7-11(16)17)14-9-5-4-8-13-12(9)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid?
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid is sourced from PubChem (CID 63757796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).