N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C117H127F15N38O6S2 — CID 157355047

About N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 157355047) has the molecular formula C117H127F15N38O6S2 and a molecular weight of 2510.67 g/mol. Its IUPAC name is N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 157355047
• Molecular Formula: C117H127F15N38O6S2
• Molecular Weight: 2510.67 g/mol
• Exact Mass: 2509.00
• IUPAC Name: N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CC1(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1.CC1(O)CC(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)C1.C[C@@H](NS(C)(=O)=O)[C@@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1CC1.C[C@H](NS(C)(=O)=O)C1[C@@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1CC1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C5CC5)[C@H](c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C25H25F3N8O2.C24H25F3N8.2C23H28F3N7O2S.C22H21F3N8/c1-24(38)8-15(9-24)23(37)35-7-6-34(14-19(35)16-10-31-32-11-16)21-4-5-29-22(33-21)18-12-30-20-3-2-17(13-36(18)20)25(26,27)28;1-23(5-6-23)15-34-9-8-33(14-19(34)16-10-30-31-11-16)21-4-7-28-22(32-21)18-12-29-20-3-2-17(13-35(18)20)24(25,26)27;2*1-14(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;23-22(24,25)15-1-4-20-27-11-18(33(20)12-15)17-5-6-26-21(30-17)31-7-8-32(16-2-3-16)19(13-31)14-9-28-29-10-14/h2-5,10-13,15,19,38H,6-9,14H2,1H3,(H,31,32);2-4,7,10-13,19H,5-6,8-9,14-15H2,1H3,(H,30,31);2*4,7-9,12-15,17,21,30H,5-6,10-11H2,1-3H3;1,4-6,9-12,16,19H,2-3,7-8,13H2,(H,28,29)/t;;14-,15+,21?;14-,15+,21-;19-/m..010/s1
• InChIKey: BHZGJCJMACSJLJ-YRTNHFPKSA-N
• XLogP: 16.42
• TPSA: 463.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2510.67
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 157355047) is N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

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

The canonical SMILES for N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1.CC1(O)CC(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)C1.C[C@@H](NS(C)(=O)=O)[C@@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1CC1.C[C@H](NS(C)(=O)=O)C1[C@@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1CC1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C5CC5)[C@H](c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is BHZGJCJMACSJLJ-YRTNHFPKSA-N. The full InChI is InChI=1S/C25H25F3N8O2.C24H25F3N8.2C23H28F3N7O2S.C22H21F3N8/c1-24(38)8-15(9-24)23(37)35-7-6-34(14-19(35)16-10-31-32-11-16)21-4-5-29-22(33-21)18-12-30-20-3-2-17(13-36(18)20)25(26,27)28;1-23(5-6-23)15-34-9-8-33(14-19(34)16-10-30-31-11-16)21-4-7-28-22(32-21)18-12-29-20-3-2-17(13-35(18)20)24(25,26)27;2*1-14(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;23-22(24,25)15-1-4-20-27-11-18(33(20)12-15)17-5-6-26-21(30-17)31-7-8-32(16-2-3-16)19(13-31)14-9-28-29-10-14/h2-5,10-13,15,19,38H,6-9,14H2,1H3,(H,31,32);2-4,7,10-13,19H,5-6,8-9,14-15H2,1H3,(H,30,31);2*4,7-9,12-15,17,21,30H,5-6,10-11H2,1-3H3;1,4-6,9-12,16,19H,2-3,7-8,13H2,(H,28,29)/t;;14-,15+,21?;14-,15+,21-;19-/m..010/s1.

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

N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2510.67 g/mol, XLogP of 16.42, 25 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[(2S,3S)-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-[(3R)-1-cyclopropyl-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;3-[2-[(3R)-4-cyclopropyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-[(1-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 157355047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).