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

C22H26F3N7O2S — CID 139344382

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

N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 139344382) has the molecular formula C22H26F3N7O2S and a molecular weight of 509.56 g/mol. Its IUPAC name is N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide
• PubChem CID: 139344382
• Molecular Formula: C22H26F3N7O2S
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.18
• IUPAC Name: N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide
• SMILES: C[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1
• InChI: InChI=1S/C22H26F3N7O2S/c1-14-18(12-28-35(2,33)34)31(16-4-5-16)10-9-30(14)21-26-8-7-17(29-21)19-11-27-20-6-3-15(13-32(19)20)22(23,24)25/h3,6-8,11,13-14,16,18,28H,4-5,9-10,12H2,1-2H3/t14-,18+/m1/s1
• InChIKey: IPUYUQDOERYHNR-KDOFPFPSSA-N
• XLogP: 2.40
• TPSA: 95.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide (CID 139344382) is N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide.

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

The canonical SMILES for N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide is C[C@@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1nccc(-c2cnc3ccc(C(F)(F)F)cn23)n1.

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

The InChIKey is IPUYUQDOERYHNR-KDOFPFPSSA-N. The full InChI is InChI=1S/C22H26F3N7O2S/c1-14-18(12-28-35(2,33)34)31(16-4-5-16)10-9-30(14)21-26-8-7-17(29-21)19-11-27-20-6-3-15(13-32(19)20)22(23,24)25/h3,6-8,11,13-14,16,18,28H,4-5,9-10,12H2,1-2H3/t14-,18+/m1/s1.

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

N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 509.56 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S,3R)-1-cyclopropyl-3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139344382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).