2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane

C91H90F15N33O5 — CID 158138289

About 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane

2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane (PubChem CID 158138289) has the molecular formula C91H90F15N33O5 and a molecular weight of 2010.92 g/mol. Its IUPAC name is 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
• PubChem CID: 158138289
• Molecular Formula: C91H90F15N33O5
• Molecular Weight: 2010.92 g/mol
• Exact Mass: 2009.76
• IUPAC Name: 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
• SMILES: CC1C(C(N)=O)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C(N)=O)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CC(C(N)=O)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CC5CCOC5C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC5(CCOC5)C4)n3)cnc2cn1
• InChI: InChI=1S/C19H20F3N7O.C19H19F3N6O.2C18H18F3N7O.C17H15F3N6O/c1-10-5-12(17(23)30)11(2)28(8-10)15-3-4-24-18(27-15)13-6-26-16-7-25-14(9-29(13)16)19(20,21)22;20-19(21,22)14-10-28-13(8-25-16(28)9-24-14)17-23-5-2-15(26-17)27-6-1-3-18(11-27)4-7-29-12-18;2*1-10-11(16(22)29)3-2-6-27(10)14-4-5-23-17(26-14)12-7-25-15-8-24-13(9-28(12)15)18(19,20)21;18-17(19,20)13-9-26-11(5-23-15(26)6-22-13)16-21-3-1-14(24-16)25-7-10-2-4-27-12(10)8-25/h3-4,6-7,9-12H,5,8H2,1-2H3,(H2,23,30);2,5,8-10H,1,3-4,6-7,11-12H2;2*4-5,7-11H,2-3,6H2,1H3,(H2,22,29);1,3,5-6,9-10,12H,2,4,7-8H2
• InChIKey: FTPVROOCSJQAQV-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 443.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.92
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?

The IUPAC name of 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane (CID 158138289) is 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane.

What is the SMILES notation for 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?

The canonical SMILES for 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane is CC1C(C(N)=O)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C(N)=O)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CC(C(N)=O)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CC5CCOC5C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC5(CCOC5)C4)n3)cnc2cn1.

What is the InChIKey of 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?

The InChIKey is FTPVROOCSJQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O.C19H19F3N6O.2C18H18F3N7O.C17H15F3N6O/c1-10-5-12(17(23)30)11(2)28(8-10)15-3-4-24-18(27-15)13-6-26-16-7-25-14(9-29(13)16)19(20,21)22;20-19(21,22)14-10-28-13(8-25-16(28)9-24-14)17-23-5-2-15(26-17)27-6-1-3-18(11-27)4-7-29-12-18;2*1-10-11(16(22)29)3-2-6-27(10)14-4-5-23-17(26-14)12-7-25-15-8-24-13(9-28(12)15)18(19,20)21;18-17(19,20)13-9-26-11(5-23-15(26)6-22-13)16-21-3-1-14(24-16)25-7-10-2-4-27-12(10)8-25/h3-4,6-7,9-12H,5,8H2,1-2H3,(H2,23,30);2,5,8-10H,1,3-4,6-7,11-12H2;2*4-5,7-11H,2-3,6H2,1H3,(H2,22,29);1,3,5-6,9-10,12H,2,4,7-8H2.

What are the key properties of 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?

2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 2010.92 g/mol, XLogP of 12.77, 13 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 158138289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).