6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide

C24H16ClN3O3 — CID 2971776

About 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide

6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 2971776) has the molecular formula C24H16ClN3O3 and a molecular weight of 429.86 g/mol. Its IUPAC name is 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
• PubChem CID: 2971776
• Molecular Formula: C24H16ClN3O3
• Molecular Weight: 429.86 g/mol
• Exact Mass: 429.09
• IUPAC Name: 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
• SMILES: Cc1cccn2cc(-c3cccc(NC(=O)c4cc5cc(Cl)ccc5oc4=O)c3)nc12
• InChI: InChI=1S/C24H16ClN3O3/c1-14-4-3-9-28-13-20(27-22(14)28)15-5-2-6-18(11-15)26-23(29)19-12-16-10-17(25)7-8-21(16)31-24(19)30/h2-13H,1H3,(H,26,29)
• InChIKey: KNEFOAJTAZZCSR-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 76.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.86
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?

The IUPAC name of 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide (CID 2971776) is 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?

The canonical SMILES for 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide is Cc1cccn2cc(-c3cccc(NC(=O)c4cc5cc(Cl)ccc5oc4=O)c3)nc12.

What is the InChIKey of 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?

The InChIKey is KNEFOAJTAZZCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O3/c1-14-4-3-9-28-13-20(27-22(14)28)15-5-2-6-18(11-15)26-23(29)19-12-16-10-17(25)7-8-21(16)31-24(19)30/h2-13H,1H3,(H,26,29).

What are the key properties of 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?

6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 429.86 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2971776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).