3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide

C100H93F18N45O5 — CID 158143592

About 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide

3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 158143592) has the molecular formula C100H93F18N45O5 and a molecular weight of 2347.12 g/mol. Its IUPAC name is 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
• PubChem CID: 158143592
• Molecular Formula: C100H93F18N45O5
• Molecular Weight: 2347.12 g/mol
• Exact Mass: 2345.81
• IUPAC Name: 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
• SMILES: CN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1C(N)=O.C[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5ccnn5)C4)n3)cnc2cn1.NC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCN1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
• InChI: InChI=1S/C18H16F3N9.C17H17F3N8O.C17H17F3N6.C16H15F3N8O.C16H14F3N7O2.C16H14F3N7O/c19-18(20,21)14-11-29-13(8-24-16(29)9-23-14)17-22-4-3-15(26-17)28-6-1-2-12(10-28)30-7-5-25-27-30;1-26-4-5-27(8-11(26)15(21)29)13-2-3-22-16(25-13)10-6-24-14-7-23-12(9-28(10)14)17(18,19)20;1-11-4-2-3-7-25(11)14-5-6-21-16(24-14)12-8-23-15-9-22-13(10-26(12)15)17(18,19)20;17-16(18,19)11-8-27-10(5-24-13(27)6-23-11)15-22-2-1-12(25-15)26-4-3-21-9(7-26)14(20)28;17-16(18,19)11-8-26-9(5-23-13(26)6-22-11)15-21-2-1-12(24-15)25-3-4-28-10(7-25)14(20)27;17-16(18,19)11-8-26-10(5-23-13(26)6-22-11)15-21-3-1-12(24-15)25-4-2-9(7-25)14(20)27/h3-5,7-9,11-12H,1-2,6,10H2;2-3,6-7,9,11H,4-5,8H2,1H3,(H2,21,29);5-6,8-11H,2-4,7H2,1H3;1-2,5-6,8-9,21H,3-4,7H2,(H2,20,28);1-2,5-6,8,10H,3-4,7H2,(H2,20,27);1,3,5-6,8-9H,2,4,7H2,(H2,20,27)/t;;11-;;;/m..0.../s1
• InChIKey: FUFZEFJRYVFFAU-JGARZUFISA-N
• XLogP: 9.91
• TPSA: 582.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 46
• Rotatable Bonds: 17
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.12
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?

The IUPAC name of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 158143592) is 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is CN1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1C(N)=O.C[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5ccnn5)C4)n3)cnc2cn1.NC(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCN1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.

What is the InChIKey of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?

The InChIKey is FUFZEFJRYVFFAU-JGARZUFISA-N. The full InChI is InChI=1S/C18H16F3N9.C17H17F3N8O.C17H17F3N6.C16H15F3N8O.C16H14F3N7O2.C16H14F3N7O/c19-18(20,21)14-11-29-13(8-24-16(29)9-23-14)17-22-4-3-15(26-17)28-6-1-2-12(10-28)30-7-5-25-27-30;1-26-4-5-27(8-11(26)15(21)29)13-2-3-22-16(25-13)10-6-24-14-7-23-12(9-28(10)14)17(18,19)20;1-11-4-2-3-7-25(11)14-5-6-21-16(24-14)12-8-23-15-9-22-13(10-26(12)15)17(18,19)20;17-16(18,19)11-8-27-10(5-24-13(27)6-23-11)15-22-2-1-12(25-15)26-4-3-21-9(7-26)14(20)28;17-16(18,19)11-8-26-9(5-23-13(26)6-22-11)15-21-2-1-12(24-15)25-3-4-28-10(7-25)14(20)27;17-16(18,19)11-8-26-10(5-23-13(26)6-22-11)15-21-3-1-12(24-15)25-4-2-9(7-25)14(20)27/h3-5,7-9,11-12H,1-2,6,10H2;2-3,6-7,9,11H,4-5,8H2,1H3,(H2,21,29);5-6,8-11H,2-4,7H2,1H3;1-2,5-6,8-9,21H,3-4,7H2,(H2,20,28);1-2,5-6,8,10H,3-4,7H2,(H2,20,27);1,3,5-6,8-9H,2,4,7H2,(H2,20,27)/t;;11-;;;/m..0.../s1.

What are the key properties of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide?

3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 2347.12 g/mol, XLogP of 9.91, 17 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;3-[4-[3-(triazol-1-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158143592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).