[(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C25H22ClF3N4OS — CID 25164540

About [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164540) has the molecular formula C25H22ClF3N4OS and a molecular weight of 518.99 g/mol. Its IUPAC name is [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 25164540
• Molecular Formula: C25H22ClF3N4OS
• Molecular Weight: 518.99 g/mol
• Exact Mass: 518.12
• IUPAC Name: [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• SMILES: Cc1nc(C(=O)N2CCCC[C@H]2Cc2nc3cc(C(F)(F)F)ccn3c2Cl)c(-c2ccccc2)s1
• InChI: InChI=1S/C25H22ClF3N4OS/c1-15-30-21(22(35-15)16-7-3-2-4-8-16)24(34)32-11-6-5-9-18(32)14-19-23(26)33-12-10-17(25(27,28)29)13-20(33)31-19/h2-4,7-8,10,12-13,18H,5-6,9,11,14H2,1H3/t18-/m0/s1
• InChIKey: UEBTYHRJRRDJQE-SFHVURJKSA-N
• XLogP: 6.68
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.99
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164540) is [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2nc3cc(C(F)(F)F)ccn3c2Cl)c(-c2ccccc2)s1.

What is the InChIKey of [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The InChIKey is UEBTYHRJRRDJQE-SFHVURJKSA-N. The full InChI is InChI=1S/C25H22ClF3N4OS/c1-15-30-21(22(35-15)16-7-3-2-4-8-16)24(34)32-11-6-5-9-18(32)14-19-23(26)33-12-10-17(25(27,28)29)13-20(33)31-19/h2-4,7-8,10,12-13,18H,5-6,9,11,14H2,1H3/t18-/m0/s1.

What are the key properties of [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

[(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 518.99 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25164540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).