[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C23H15ClF4N4O2 — CID 46864949

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864949) has the molecular formula C23H15ClF4N4O2 and a molecular weight of 490.84 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• PubChem CID: 46864949
• Molecular Formula: C23H15ClF4N4O2
• Molecular Weight: 490.84 g/mol
• Exact Mass: 490.08
• IUPAC Name: [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cccc(F)n2)CC1
• InChI: InChI=1S/C23H15ClF4N4O2/c24-20-19(22(33)31-7-4-13(5-8-31)17-2-1-3-18(25)29-17)30-21-16(23(26,27)28)10-15(11-32(20)21)14-6-9-34-12-14/h1-4,6,9-12H,5,7-8H2
• InChIKey: JLCOFTBVKDYXQN-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.84
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864949) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cccc(F)n2)CC1.

What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The InChIKey is JLCOFTBVKDYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O2/c24-20-19(22(33)31-7-4-13(5-8-31)17-2-1-3-18(25)29-17)30-21-16(23(26,27)28)10-15(11-32(20)21)14-6-9-34-12-14/h1-4,6,9-12H,5,7-8H2.

What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 490.84 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(6-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).