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

C24H17ClF4N4O2 — CID 46864951

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-4-methyl-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-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864951) has the molecular formula C24H17ClF4N4O2 and a molecular weight of 504.87 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-4-methyl-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-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• PubChem CID: 46864951
• Molecular Formula: C24H17ClF4N4O2
• Molecular Weight: 504.87 g/mol
• Exact Mass: 504.10
• IUPAC Name: [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• SMILES: Cc1ccnc(C2=CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)c1F
• InChI: InChI=1S/C24H17ClF4N4O2/c1-13-2-6-30-19(18(13)26)14-3-7-32(8-4-14)23(34)20-21(25)33-11-16(15-5-9-35-12-15)10-17(22(33)31-20)24(27,28)29/h2-3,5-6,9-12H,4,7-8H2,1H3
• InChIKey: ZALVHJPDPCZNPE-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.87
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(3-fluoro-4-methyl-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-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864951) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-4-methyl-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-(3-fluoro-4-methyl-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-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1ccnc(C2=CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)c1F.

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

The InChIKey is ZALVHJPDPCZNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N4O2/c1-13-2-6-30-19(18(13)26)14-3-7-32(8-4-14)23(34)20-21(25)33-11-16(15-5-9-35-12-15)10-17(22(33)31-20)24(27,28)29/h2-3,5-6,9-12H,4,7-8H2,1H3.

What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-4-methyl-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-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 504.87 g/mol, XLogP of 6.04, 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-(3-fluoro-4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).