2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid

C15H11N3O3 — CID 66653420

IUPAC2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid
SMILESNc1ccc(C(=O)c2ncc3ccccn23)cc1C(=O)O
InChIInChI=1S/C15H11N3O3/c16-12-5-4-9(7-11(12)15(20)21)13(19)14-17-8-10-3-1-2-6-18(10)14/h1-8H,16H2,(H,20,21)
InChIKeyYRZHKXSZQZYZRN-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid

2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid (PubChem CID 66653420) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid
PubChem CID66653420
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid
SMILESNc1ccc(C(=O)c2ncc3ccccn23)cc1C(=O)O
InChIInChI=1S/C15H11N3O3/c16-12-5-4-9(7-11(12)15(20)21)13(19)14-17-8-10-3-1-2-6-18(10)14/h1-8H,16H2,(H,20,21)
InChIKeyYRZHKXSZQZYZRN-UHFFFAOYSA-N
XLogP1.85
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid?
The IUPAC name of 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid (CID 66653420) is 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid.
What is the SMILES notation for 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid?
The canonical SMILES for 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid is Nc1ccc(C(=O)c2ncc3ccccn23)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid?
The InChIKey is YRZHKXSZQZYZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-12-5-4-9(7-11(12)15(20)21)13(19)14-17-8-10-3-1-2-6-18(10)14/h1-8H,16H2,(H,20,21).
What are the key properties of 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid?
2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(imidazo[1,5-a]pyridine-3-carbonyl)benzoic acid is sourced from PubChem (CID 66653420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).