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

C23H15ClF4N4OS — CID 46864628

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

[3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864628) has the molecular formula C23H15ClF4N4OS and a molecular weight of 506.91 g/mol. Its IUPAC name is [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• PubChem CID: 46864628
• Molecular Formula: C23H15ClF4N4OS
• Molecular Weight: 506.91 g/mol
• Exact Mass: 506.06
• IUPAC Name: [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3cccs3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
• InChI: InChI=1S/C23H15ClF4N4OS/c24-20-19(22(33)31-8-5-13(6-9-31)18-16(25)3-1-7-29-18)30-21-15(23(26,27)28)11-14(12-32(20)21)17-4-2-10-34-17/h1-5,7,10-12H,6,8-9H2
• InChIKey: XAICOPQJYMVHIA-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.91
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864628) is [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

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

The canonical SMILES for [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3cccs3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.

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

The InChIKey is XAICOPQJYMVHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4OS/c24-20-19(22(33)31-8-5-13(6-9-31)18-16(25)3-1-7-29-18)30-21-15(23(26,27)28)11-14(12-32(20)21)17-4-2-10-34-17/h1-5,7,10-12H,6,8-9H2.

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

[3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 506.91 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-6-thiophen-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).