7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid

C15H12ClN3O3 — CID 171486966

IUPAC7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCOc1cnc(Cl)cc1-c1cc2cnc(C)n2cc1C(=O)O
InChIInChI=1S/C15H12ClN3O3/c1-8-17-5-9-3-10(12(15(20)21)7-19(8)9)11-4-14(16)18-6-13(11)22-2/h3-7H,1-2H3,(H,20,21)
InChIKeyNRQOOBZXWHPEBZ-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.06
Rot. Bonds3

About 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid

7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 171486966) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID171486966
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCOc1cnc(Cl)cc1-c1cc2cnc(C)n2cc1C(=O)O
InChIInChI=1S/C15H12ClN3O3/c1-8-17-5-9-3-10(12(15(20)21)7-19(8)9)11-4-14(16)18-6-13(11)22-2/h3-7H,1-2H3,(H,20,21)
InChIKeyNRQOOBZXWHPEBZ-UHFFFAOYSA-N
XLogP3.06
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-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 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid (CID 171486966) is 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid is COc1cnc(Cl)cc1-c1cc2cnc(C)n2cc1C(=O)O.
What is the InChIKey of 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is NRQOOBZXWHPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-8-17-5-9-3-10(12(15(20)21)7-19(8)9)11-4-14(16)18-6-13(11)22-2/h3-7H,1-2H3,(H,20,21).
What are the key properties of 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 317.73 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-methoxy-4-pyridinyl)-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 171486966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).