[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

C89H87F5N40O6 — CID 160666771

About [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 160666771) has the molecular formula C89H87F5N40O6 and a molecular weight of 1907.94 g/mol. Its IUPAC name is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
• PubChem CID: 160666771
• Molecular Formula: C89H87F5N40O6
• Molecular Weight: 1907.94 g/mol
• Exact Mass: 1906.77
• IUPAC Name: [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
• SMILES: C=Cc1cn2c(-c3nccc(N4CCN(C(C)=O)CC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.NC(=O)NCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NC(=O)c1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.c1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1
• InChI: InChI=1S/C18H15F3N8O.C18H20F2N8O.C18H17N9O2.C18H19N7O.C17H16N8O/c19-18(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;19-16(20)12-10-28-13(7-24-15(28)8-23-12)17-22-4-3-14(26-17)27-5-1-2-11(9-27)6-25-18(21)29;19-17(28)12-9-27-13(7-22-16(27)8-21-12)18-20-2-1-15(25-18)26-3-4-29-14(10-26)11-5-23-24-6-11;1-3-14-12-25-15(10-21-17(25)11-20-14)18-19-5-4-16(22-18)24-8-6-23(7-9-24)13(2)26;1-2-19-17(13-9-20-16-10-18-3-4-25(13)16)23-15(1)24-5-6-26-14(11-24)12-7-21-22-8-12/h1-2,5-8,10,14H,3-4,9H2,(H,25,26);3-4,7-8,10-11,16H,1-2,5-6,9H2,(H3,21,25,29);1-2,5-9,14H,3-4,10H2,(H2,19,28)(H,23,24);3-5,10-12H,1,6-9H2,2H3;1-4,7-10,14H,5-6,11H2,(H,21,22)
• InChIKey: RMKDXQKXDSSBAZ-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 528.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.94
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (CID 160666771) is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;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 [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The canonical SMILES for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is C=Cc1cn2c(-c3nccc(N4CCN(C(C)=O)CC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.NC(=O)NCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.NC(=O)c1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.c1cn2c(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)cnc2cn1.

What is the InChIKey of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

The InChIKey is RMKDXQKXDSSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8O.C18H20F2N8O.C18H17N9O2.C18H19N7O.C17H16N8O/c19-18(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;19-16(20)12-10-28-13(7-24-15(28)8-23-12)17-22-4-3-14(26-17)27-5-1-2-11(9-27)6-25-18(21)29;19-17(28)12-9-27-13(7-22-16(27)8-21-12)18-20-2-1-15(25-18)26-3-4-29-14(10-26)11-5-23-24-6-11;1-3-14-12-25-15(10-21-17(25)11-20-14)18-19-5-4-16(22-18)24-8-6-23(7-9-24)13(2)26;1-2-19-17(13-9-20-16-10-18-3-4-25(13)16)23-15(1)24-5-6-26-14(11-24)12-7-21-22-8-12/h1-2,5-8,10,14H,3-4,9H2,(H,25,26);3-4,7-8,10-11,16H,1-2,5-6,9H2,(H3,21,25,29);1-2,5-9,14H,3-4,10H2,(H2,19,28)(H,23,24);3-5,10-12H,1,6-9H2,2H3;1-4,7-10,14H,5-6,11H2,(H,21,22).

What are the key properties of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?

[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;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 1907.94 g/mol, XLogP of 8.09, 18 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methylurea;1-[4-[2-(6-ethenylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-(2-imidazo[1,2-a]pyrazin-3-ylpyrimidin-4-yl)-2-(1H-pyrazol-4-yl)morpholine;3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;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 160666771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).