N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one

C116H124F14N38O6S2 — CID 158969208

About N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one

N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one (PubChem CID 158969208) has the molecular formula C116H124F14N38O6S2 and a molecular weight of 2476.63 g/mol. Its IUPAC name is N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one.

Molecular Properties

• Compound Name: N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one
• PubChem CID: 158969208
• Molecular Formula: C116H124F14N38O6S2
• Molecular Weight: 2476.63 g/mol
• Exact Mass: 2474.98
• IUPAC Name: N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one
• SMILES: CC1C(CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.CC1CC1CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.C[C@H]1[C@H](CNS(C)(=O)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CC6)C(c5cn[nH]c5)C4)n3)n2c1.O=C1CCC[C@@H](C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C[C@@H]2c2cn[nH]c2)C1
• InChI: InChI=1S/C26H25F3N8O2.C25H25F3N8.C24H25F3N8.C22H27F2N7O2S.C19H22F3N7O2S/c27-26(28,29)18-4-5-22-31-13-20(37(22)14-18)24-30-7-6-23(34-24)35-8-9-36(21(15-35)17-11-32-33-12-17)25(39)16-2-1-3-19(38)10-16;26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16;1-15-8-16(15)12-33-6-7-34(14-20(33)17-9-30-31-10-17)22-4-5-28-23(32-22)19-11-29-21-3-2-18(13-35(19)21)24(25,26)27;1-14-17(12-27-34(2,32)33)30(16-4-5-16)10-9-29(14)20-7-8-25-22(28-20)18-11-26-19-6-3-15(21(23)24)13-31(18)19;1-12-14(9-26-32(2,30)31)23-7-8-28(12)17-5-6-24-18(27-17)15-10-25-16-4-3-13(11-29(15)16)19(20,21)22/h4-7,11-14,16,21H,1-3,8-10,15H2,(H,32,33);1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32);2-5,9-11,13,15-16,20H,6-8,12,14H2,1H3,(H,30,31);3,6-8,11,13-14,16-17,21,27H,4-5,9-10,12H2,1-2H3;3-6,10-12,14,23,26H,7-9H2,1-2H3/t16-,21-;;;;12-,14-/m1...0/s1
• InChIKey: JNOYSHVZQDECJD-CIDYTBARSA-N
• XLogP: 15.78
• TPSA: 469.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.63
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one?

The IUPAC name of N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one (CID 158969208) is N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one.

What is the SMILES notation for N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one?

The canonical SMILES for N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one is CC1C(CNS(C)(=O)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(C(F)F)cn23)n1.CC1CC1CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.C[C@H]1[C@H](CNS(C)(=O)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CC6)C(c5cn[nH]c5)C4)n3)n2c1.O=C1CCC[C@@H](C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C[C@@H]2c2cn[nH]c2)C1.

What is the InChIKey of N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one?

The InChIKey is JNOYSHVZQDECJD-CIDYTBARSA-N. The full InChI is InChI=1S/C26H25F3N8O2.C25H25F3N8.C24H25F3N8.C22H27F2N7O2S.C19H22F3N7O2S/c27-26(28,29)18-4-5-22-31-13-20(37(22)14-18)24-30-7-6-23(34-24)35-8-9-36(21(15-35)17-11-32-33-12-17)25(39)16-2-1-3-19(38)10-16;26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16;1-15-8-16(15)12-33-6-7-34(14-20(33)17-9-30-31-10-17)22-4-5-28-23(32-22)19-11-29-21-3-2-18(13-35(19)21)24(25,26)27;1-14-17(12-27-34(2,32)33)30(16-4-5-16)10-9-29(14)20-7-8-25-22(28-20)18-11-26-19-6-3-15(21(23)24)13-31(18)19;1-12-14(9-26-32(2,30)31)23-7-8-28(12)17-5-6-24-18(27-17)15-10-25-16-4-3-13(11-29(15)16)19(20,21)22/h4-7,11-14,16,21H,1-3,8-10,15H2,(H,32,33);1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32);2-5,9-11,13,15-16,20H,6-8,12,14H2,1H3,(H,30,31);3,6-8,11,13-14,16-17,21,27H,4-5,9-10,12H2,1-2H3;3-6,10-12,14,23,26H,7-9H2,1-2H3/t16-,21-;;;;12-,14-/m1...0/s1.

What are the key properties of N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one?

N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one has a molecular weight of 2476.63 g/mol, XLogP of 15.78, 26 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-cyclopropyl-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;3-[4-[4-[(2-methylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[[(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(3R)-3-[(2S)-2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexan-1-one is sourced from PubChem (CID 158969208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).