[3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

C22H18ClF3N4OS — CID 46864815

About [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone

[3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 46864815) has the molecular formula C22H18ClF3N4OS and a molecular weight of 478.93 g/mol. Its IUPAC name is [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

• Compound Name: [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
• PubChem CID: 46864815
• Molecular Formula: C22H18ClF3N4OS
• Molecular Weight: 478.93 g/mol
• Exact Mass: 478.08
• IUPAC Name: [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(C3=CCCCC3)cn2c1Cl)N1CC=C(c2nccs2)C1
• InChI: InChI=1S/C22H18ClF3N4OS/c23-18-17(21(31)29-8-6-14(11-29)20-27-7-9-32-20)28-19-16(22(24,25)26)10-15(12-30(18)19)13-4-2-1-3-5-13/h4,6-7,9-10,12H,1-3,5,8,11H2
• InChIKey: HHANXJKTEXGAGK-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.93
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

The IUPAC name of [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 46864815) is [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone.

What is the SMILES notation for [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

The canonical SMILES for [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(C3=CCCCC3)cn2c1Cl)N1CC=C(c2nccs2)C1.

What is the InChIKey of [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

The InChIKey is HHANXJKTEXGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4OS/c23-18-17(21(31)29-8-6-14(11-29)20-27-7-9-32-20)28-19-16(22(24,25)26)10-15(12-30(18)19)13-4-2-1-3-5-13/h4,6-7,9-10,12H,1-3,5,8,11H2.

What are the key properties of [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone?

[3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 478.93 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 46864815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).