3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

C90H92F6N40O6 — CID 159140636

About 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 159140636) has the molecular formula C90H92F6N40O6 and a molecular weight of 1943.99 g/mol. Its IUPAC name is 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
• PubChem CID: 159140636
• Molecular Formula: C90H92F6N40O6
• Molecular Weight: 1943.99 g/mol
• Exact Mass: 1942.80
• IUPAC Name: 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
• SMILES: CC(=O)N1CCCN(c2ccnc(-c3cnc4cnc(C(N)=O)cn34)n2)CC1.CC(=O)N1CCN(c2nc(C)cc(-c3cnc4cnc(C(N)=O)cn34)n2)CC1.CC1CCCN(c2nccc(-c3cnc4cnc(C(N)=O)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.FC(F)(F)c1cn2c(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1
• InChI: InChI=1S/C19H18F3N9.C18H15F3N8O.2C18H20N8O2.C17H19N7O/c1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22;19-18(20,21)15-10-29-13(7-24-16(29)8-23-15)12-1-2-22-17(27-12)28-3-4-30-14(9-28)11-5-25-26-6-11;1-11-7-13(15-8-21-16-9-20-14(17(19)28)10-26(15)16)23-18(22-11)25-5-3-24(4-6-25)12(2)27;1-12(27)24-5-2-6-25(8-7-24)15-3-4-20-18(23-15)14-9-22-16-10-21-13(17(19)28)11-26(14)16;1-11-3-2-6-23(9-11)17-19-5-4-12(22-17)14-7-21-15-8-20-13(16(18)25)10-24(14)15/h2-7,10-11,13,28H,8-9H2,1H3,(H,26,27);1-2,5-8,10,14H,3-4,9H2,(H,25,26);7-10H,3-6H2,1-2H3,(H2,19,28);3-4,9-11H,2,5-8H2,1H3,(H2,19,28);4-5,7-8,10-11H,2-3,6,9H2,1H3,(H2,18,25)
• InChIKey: KIAWEWQWLSKTEL-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 544.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.99
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The IUPAC name of 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (CID 159140636) is 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The canonical SMILES for 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is CC(=O)N1CCCN(c2ccnc(-c3cnc4cnc(C(N)=O)cn34)n2)CC1.CC(=O)N1CCN(c2nc(C)cc(-c3cnc4cnc(C(N)=O)cn34)n2)CC1.CC1CCCN(c2nccc(-c3cnc4cnc(C(N)=O)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2)N1.FC(F)(F)c1cn2c(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.

What is the InChIKey of 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The InChIKey is KIAWEWQWLSKTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N9.C18H15F3N8O.2C18H20N8O2.C17H19N7O/c1-11-8-30(9-13(28-11)12-4-26-27-5-12)16-2-3-23-18(29-16)14-6-25-17-7-24-15(10-31(14)17)19(20,21)22;19-18(20,21)15-10-29-13(7-24-16(29)8-23-15)12-1-2-22-17(27-12)28-3-4-30-14(9-28)11-5-25-26-6-11;1-11-7-13(15-8-21-16-9-20-14(17(19)28)10-26(15)16)23-18(22-11)25-5-3-24(4-6-25)12(2)27;1-12(27)24-5-2-6-25(8-7-24)15-3-4-20-18(23-15)14-9-22-16-10-21-13(17(19)28)11-26(14)16;1-11-3-2-6-23(9-11)17-19-5-4-12(22-17)14-7-21-15-8-20-13(16(18)25)10-24(14)15/h2-7,10-11,13,28H,8-9H2,1H3,(H,26,27);1-2,5-8,10,14H,3-4,9H2,(H,25,26);7-10H,3-6H2,1-2H3,(H2,19,28);3-4,9-11H,2,5-8H2,1H3,(H2,19,28);4-5,7-8,10-11H,2-3,6,9H2,1H3,(H2,18,25).

What are the key properties of 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1943.99 g/mol, XLogP of 7.10, 15 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 159140636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).