5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one

C94H90F17N35O4 — CID 159536028

About 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one

5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 159536028) has the molecular formula C94H90F17N35O4 and a molecular weight of 2096.96 g/mol. Its IUPAC name is 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one
• PubChem CID: 159536028
• Molecular Formula: C94H90F17N35O4
• Molecular Weight: 2096.96 g/mol
• Exact Mass: 2095.76
• IUPAC Name: 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one
• SMILES: CC1(C(N)=O)CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5CCOC5)C4)n3)cnc2cn1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(F)(F)C1.O=C1CCCN1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C21H21F3N8.C20H20F3N7O.C19H19F3N6O.C17H14F5N7O.C17H16F3N7O/c1-12-10-31(13(2)19(29-12)14-3-5-25-7-14)17-4-6-26-20(30-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;21-20(22,23)15-12-30-14(9-26-17(30)10-25-15)19-24-6-5-16(27-19)28-7-1-3-13(11-28)29-8-2-4-18(29)31;20-19(21,22)15-10-28-14(7-25-17(28)8-24-15)18-23-4-1-16(26-18)27-5-2-12(9-27)13-3-6-29-11-13;18-16(19)3-9(14(23)30)6-28(8-16)12-1-2-24-15(27-12)10-4-26-13-5-25-11(7-29(10)13)17(20,21)22;1-16(15(21)28)3-5-26(9-16)12-2-4-22-14(25-12)10-6-24-13-7-23-11(8-27(10)13)17(18,19)20/h3-4,6-9,11-13,19,29H,5,10H2,1-2H3;5-6,9-10,12-13H,1-4,7-8,11H2;1,4,7-8,10,12-13H,2-3,5-6,9,11H2;1-2,4-5,7,9H,3,6,8H2,(H2,23,30);2,4,6-8H,3,5,9H2,1H3,(H2,21,28)
• InChIKey: MDPFTCOTMHLAFN-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 436.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.96
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one?

The IUPAC name of 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one (CID 159536028) is 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one.

What is the SMILES notation for 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one?

The canonical SMILES for 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one is CC1(C(N)=O)CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5CCOC5)C4)n3)cnc2cn1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(F)(F)C1.O=C1CCCN1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

What is the InChIKey of 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one?

The InChIKey is MDPFTCOTMHLAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8.C20H20F3N7O.C19H19F3N6O.C17H14F5N7O.C17H16F3N7O/c1-12-10-31(13(2)19(29-12)14-3-5-25-7-14)17-4-6-26-20(30-17)15-8-28-18-9-27-16(11-32(15)18)21(22,23)24;21-20(22,23)15-12-30-14(9-26-17(30)10-25-15)19-24-6-5-16(27-19)28-7-1-3-13(11-28)29-8-2-4-18(29)31;20-19(21,22)15-10-28-14(7-25-17(28)8-24-15)18-23-4-1-16(26-18)27-5-2-12(9-27)13-3-6-29-11-13;18-16(19)3-9(14(23)30)6-28(8-16)12-1-2-24-15(27-12)10-4-26-13-5-25-11(7-29(10)13)17(20,21)22;1-16(15(21)28)3-5-26(9-16)12-2-4-22-14(25-12)10-6-24-13-7-23-11(8-27(10)13)17(18,19)20/h3-4,6-9,11-13,19,29H,5,10H2,1-2H3;5-6,9-10,12-13H,1-4,7-8,11H2;1,4,7-8,10,12-13H,2-3,5-6,9,11H2;1-2,4-5,7,9H,3,6,8H2,(H2,23,30);2,4,6-8H,3,5,9H2,1H3,(H2,21,28).

What are the key properties of 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one?

5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 2096.96 g/mol, XLogP of 12.69, 15 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide;3-[4-[3-(oxolan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 159536028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).