1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid

C15H15N3O3 — CID 167921077

IUPAC1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCc2ccc3cncn3c2)CC=CC1
InChIInChI=1S/C15H15N3O3/c19-13(15(14(20)21)5-1-2-6-15)17-7-11-3-4-12-8-16-10-18(12)9-11/h1-4,8-10H,5-7H2,(H,17,19)(H,20,21)
InChIKeyZOPRXDXHDAPHAG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds4

About 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid

1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid (PubChem CID 167921077) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid
PubChem CID167921077
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCc2ccc3cncn3c2)CC=CC1
InChIInChI=1S/C15H15N3O3/c19-13(15(14(20)21)5-1-2-6-15)17-7-11-3-4-12-8-16-10-18(12)9-11/h1-4,8-10H,5-7H2,(H,17,19)(H,20,21)
InChIKeyZOPRXDXHDAPHAG-UHFFFAOYSA-N
XLogP1.37
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-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 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid (CID 167921077) is 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid is O=C(O)C1(C(=O)NCc2ccc3cncn3c2)CC=CC1.
What is the InChIKey of 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid?
The InChIKey is ZOPRXDXHDAPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13(15(14(20)21)5-1-2-6-15)17-7-11-3-4-12-8-16-10-18(12)9-11/h1-4,8-10H,5-7H2,(H,17,19)(H,20,21).
What are the key properties of 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid?
1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 167921077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).