(3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide

C101H105F19N32O7S2 — CID 162185099

About (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide

(3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 162185099) has the molecular formula C101H105F19N32O7S2 and a molecular weight of 2304.26 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
• PubChem CID: 162185099
• Molecular Formula: C101H105F19N32O7S2
• Molecular Weight: 2304.26 g/mol
• Exact Mass: 2302.80
• IUPAC Name: (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
• SMILES: C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1CC(F)(F)C1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1CC1(F)F.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1S(C)(=O)=O.C[C@H]1[C@@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1
• InChI: InChI=1S/C23H23F5N6O.C22H21F5N6O.C19H22F3N7O2S.C19H21F3N6O2S.C18H18F3N7O/c1-13-10-32(11-14(2)34(13)21(35)15-7-22(24,25)8-15)19-5-6-29-20(31-19)17-9-30-18-4-3-16(12-33(17)18)23(26,27)28;1-12-9-31(10-13(2)33(12)20(34)15-7-21(15,23)24)18-5-6-28-19(30-18)16-8-29-17-4-3-14(11-32(16)17)22(25,26)27;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;1-12-9-26(10-13(2)28(12)31(3,29)30)17-6-7-23-18(25-17)15-8-24-16-5-4-14(11-27(15)16)19(20,21)22;1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h3-6,9,12-15H,7-8,10-11H2,1-2H3;3-6,8,11-13,15H,7,9-10H2,1-2H3;3-6,10-12,14,23,26H,7-9H2,1-2H3;4-8,11-13H,9-10H2,1-3H3;2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t13-,14+;12-,13+,15?;12-,14+;12-,13+;10-,15-/m..0.0/s1
• InChIKey: ZPOBGHMBFYUREJ-ORNBGLTQSA-N
• XLogP: 13.83
• TPSA: 422.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.26
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

The IUPAC name of (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide (CID 162185099) is (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide.

What is the SMILES notation for (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

The canonical SMILES for (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide is C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1CC(F)(F)C1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1CC1(F)F.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1S(C)(=O)=O.C[C@H]1[C@@H](C(N)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@@H](CNS(C)(=O)=O)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.

What is the InChIKey of (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

The InChIKey is ZPOBGHMBFYUREJ-ORNBGLTQSA-N. The full InChI is InChI=1S/C23H23F5N6O.C22H21F5N6O.C19H22F3N7O2S.C19H21F3N6O2S.C18H18F3N7O/c1-13-10-32(11-14(2)34(13)21(35)15-7-22(24,25)8-15)19-5-6-29-20(31-19)17-9-30-18-4-3-16(12-33(17)18)23(26,27)28;1-12-9-31(10-13(2)33(12)20(34)15-7-21(15,23)24)18-5-6-28-19(30-18)16-8-29-17-4-3-14(11-32(16)17)22(25,26)27;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;1-12-9-26(10-13(2)28(12)31(3,29)30)17-6-7-23-18(25-17)15-8-24-16-5-4-14(11-27(15)16)19(20,21)22;1-10-15(16(22)29)23-6-7-27(10)14-4-5-24-17(26-14)12-8-25-13-3-2-11(9-28(12)13)18(19,20)21/h3-6,9,12-15H,7-8,10-11H2,1-2H3;3-6,8,11-13,15H,7,9-10H2,1-2H3;3-6,10-12,14,23,26H,7-9H2,1-2H3;4-8,11-13H,9-10H2,1-3H3;2-5,8-10,15,23H,6-7H2,1H3,(H2,22,29)/t13-,14+;12-,13+,15?;12-,14+;12-,13+;10-,15-/m..0.0/s1.

What are the key properties of (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

(3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 2304.26 g/mol, XLogP of 13.83, 17 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162185099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).