N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide

C23H28F3N7O2S — CID 139344667

About N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide

N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide (PubChem CID 139344667) has the molecular formula C23H28F3N7O2S and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide
• PubChem CID: 139344667
• Molecular Formula: C23H28F3N7O2S
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.20
• IUPAC Name: N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide
• SMILES: C[C@H](NS(C)(=O)=O)[C@H]1[C@@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1CC1
• InChI: InChI=1S/C23H28F3N7O2S/c1-14(30-36(3,34)35)21-15(2)31(10-11-32(21)17-5-6-17)20-8-9-27-22(29-20)18-12-28-19-7-4-16(13-33(18)19)23(24,25)26/h4,7-9,12-15,17,21,30H,5-6,10-11H2,1-3H3/t14-,15+,21-/m0/s1
• InChIKey: QYUJFRCLTJNOKW-ZSDSOXJFSA-N
• XLogP: 2.79
• TPSA: 95.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide (CID 139344667) is N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide is C[C@H](NS(C)(=O)=O)[C@H]1[C@@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1CC1.

What is the InChIKey of N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide?

The InChIKey is QYUJFRCLTJNOKW-ZSDSOXJFSA-N. The full InChI is InChI=1S/C23H28F3N7O2S/c1-14(30-36(3,34)35)21-15(2)31(10-11-32(21)17-5-6-17)20-8-9-27-22(29-20)18-12-28-19-7-4-16(13-33(18)19)23(24,25)26/h4,7-9,12-15,17,21,30H,5-6,10-11H2,1-3H3/t14-,15+,21-/m0/s1.

What are the key properties of N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide?

N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide has a molecular weight of 523.59 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[(2R,3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 139344667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).