3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide

C117H120F18N38O5S — CID 161281322

About 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide

3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 161281322) has the molecular formula C117H120F18N38O5S and a molecular weight of 2512.54 g/mol. Its IUPAC name is 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
• PubChem CID: 161281322
• Molecular Formula: C117H120F18N38O5S
• Molecular Weight: 2512.54 g/mol
• Exact Mass: 2510.97
• IUPAC Name: 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
• SMILES: CC1(C)CC1CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C.Cc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CCOCC6)C(c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C27H29F3N8O.C25H27F3N8.2C23H23F3N8O.C19H18F6N6O2S/c28-27(29,30)19-1-2-23-32-14-21(38(23)16-19)25-31-6-3-24(35-25)37-8-7-36(22(17-37)18-12-33-34-13-18)15-20-11-26(20)4-9-39-10-5-26;1-24(2)9-18(24)13-34-7-8-35(15-20(34)16-10-31-32-11-16)22-5-6-29-23(33-22)19-12-30-21-4-3-17(14-36(19)21)25(26,27)28;2*1-14-11-32(8-9-33(14)22(35)17-13-31(3)30-15(17)2)20-6-7-27-21(29-20)18-10-28-19-5-4-16(12-34(18)19)23(24,25)26;1-34(32,33)29-13-6-12(19(23,24)25)8-30(10-13)16-4-5-26-17(28-16)14-7-27-15-3-2-11(9-31(14)15)18(20,21)22/h1-3,6,12-14,16,20,22H,4-5,7-11,15,17H2,(H,33,34);3-6,10-12,14,18,20H,7-9,13,15H2,1-2H3,(H,31,32);2*4-7,10,12-14H,8-9,11H2,1-3H3;2-5,7,9,12-13,29H,6,8,10H2,1H3/t;;2*14-;/m..10./s1
• InChIKey: VFCXIIZJTROTQE-ZFMDRBSTSA-N
• XLogP: 18.18
• TPSA: 427.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.54
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?

The IUPAC name of 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (CID 161281322) is 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.

What is the SMILES notation for 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?

The canonical SMILES for 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is CC1(C)CC1CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.Cc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C.Cc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CCOCC6)C(c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?

The InChIKey is VFCXIIZJTROTQE-ZFMDRBSTSA-N. The full InChI is InChI=1S/C27H29F3N8O.C25H27F3N8.2C23H23F3N8O.C19H18F6N6O2S/c28-27(29,30)19-1-2-23-32-14-21(38(23)16-19)25-31-6-3-24(35-25)37-8-7-36(22(17-37)18-12-33-34-13-18)15-20-11-26(20)4-9-39-10-5-26;1-24(2)9-18(24)13-34-7-8-35(15-20(34)16-10-31-32-11-16)22-5-6-29-23(33-22)19-12-30-21-4-3-17(14-36(19)21)25(26,27)28;2*1-14-11-32(8-9-33(14)22(35)17-13-31(3)30-15(17)2)20-6-7-27-21(29-20)18-10-28-19-5-4-16(12-34(18)19)23(24,25)26;1-34(32,33)29-13-6-12(19(23,24)25)8-30(10-13)16-4-5-26-17(28-16)14-7-27-15-3-2-11(9-31(14)15)18(20,21)22/h1-3,6,12-14,16,20,22H,4-5,7-11,15,17H2,(H,33,34);3-6,10-12,14,18,20H,7-9,13,15H2,1-2H3,(H,31,32);2*4-7,10,12-14H,8-9,11H2,1-3H3;2-5,7,9,12-13,29H,6,8,10H2,1H3/t;;2*14-;/m..10./s1.

What are the key properties of 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?

3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 2512.54 g/mol, XLogP of 18.18, 20 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(1,3-dimethylpyrazol-4-yl)-[(2R)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[4-(6-oxaspiro[2.5]octan-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 161281322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).