7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one

C119H135N29O9 — CID 157080763

About 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one

7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 157080763) has the molecular formula C119H135N29O9 and a molecular weight of 2115.58 g/mol. Its IUPAC name is 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

• Compound Name: 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
• PubChem CID: 157080763
• Molecular Formula: C119H135N29O9
• Molecular Weight: 2115.58 g/mol
• Exact Mass: 2114.10
• IUPAC Name: 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
• SMILES: CCc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cn2cc(C)nc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C(CO)CO)CC5)ccc4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C6COC(C)(C)OC6)CC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc2c(C)n1.Cc1cn2cc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)ccc2n1
• InChI: InChI=1S/C28H34N6O3.C25H30N6O3.C23H26N6O.C23H25N5O.C20H20N6O/c1-5-22-25-12-24(31-34(25)14-18(2)29-22)23-13-27(35)33-15-20(6-7-26(33)30-23)19-8-10-32(11-9-19)21-16-36-28(3,4)37-17-21;1-3-20-23-10-22(28-31(23)12-16(2)26-20)21-11-25(34)30-13-18(4-5-24(30)27-21)17-6-8-29(9-7-17)19(14-32)15-33;1-14-9-27(10-15(2)24-14)19-5-6-22-26-20(8-23(30)29(22)13-19)18-7-21-17(4)25-16(3)11-28(21)12-18;1-3-16-10-19(13-27-12-15(2)25-23(16)27)20-11-22(29)28-14-18(4-5-21(28)26-20)17-6-8-24-9-7-17;1-13-11-25-12-15(2-4-18(25)22-13)17-10-20(27)26-19(23-17)5-3-16(24-26)14-6-8-21-9-7-14/h6-7,12-15,19,21H,5,8-11,16-17H2,1-4H3;4-5,10-13,17,19,32-33H,3,6-9,14-15H2,1-2H3;5-8,11-15,24H,9-10H2,1-4H3;4-5,10-14,17,24H,3,6-9H2,1-2H3;2-5,10-12,14,21H,6-9H2,1H3/t;;14-,15+
• InChIKey: ADMZSICHIBXIAF-CECWUMNWSA-N
• XLogP: 13.75
• TPSA: 401.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.58
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The IUPAC name of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one (CID 157080763) is 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one.

What is the SMILES notation for 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The canonical SMILES for 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one is CCc1cc(-c2cc(=O)n3cc(C4CCNCC4)ccc3n2)cn2cc(C)nc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C(CO)CO)CC5)ccc4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C6COC(C)(C)OC6)CC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc2c(C)n1.Cc1cn2cc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)ccc2n1.

What is the InChIKey of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

The InChIKey is ADMZSICHIBXIAF-CECWUMNWSA-N. The full InChI is InChI=1S/C28H34N6O3.C25H30N6O3.C23H26N6O.C23H25N5O.C20H20N6O/c1-5-22-25-12-24(31-34(25)14-18(2)29-22)23-13-27(35)33-15-20(6-7-26(33)30-23)19-8-10-32(11-9-19)21-16-36-28(3,4)37-17-21;1-3-20-23-10-22(28-31(23)12-16(2)26-20)21-11-25(34)30-13-18(4-5-24(30)27-21)17-6-8-29(9-7-17)19(14-32)15-33;1-14-9-27(10-15(2)24-14)19-5-6-22-26-20(8-23(30)29(22)13-19)18-7-21-17(4)25-16(3)11-28(21)12-18;1-3-16-10-19(13-27-12-15(2)25-23(16)27)20-11-22(29)28-14-18(4-5-21(28)26-20)17-6-8-24-9-7-17;1-13-11-25-12-15(2-4-18(25)22-13)17-10-20(27)26-19(23-17)5-3-16(24-26)14-6-8-21-9-7-14/h6-7,12-15,19,21H,5,8-11,16-17H2,1-4H3;4-5,10-13,17,19,32-33H,3,6-9,14-15H2,1-2H3;5-8,11-15,24H,9-10H2,1-4H3;4-5,10-14,17,24H,3,6-9H2,1-2H3;2-5,10-12,14,21H,6-9H2,1H3/t;;14-,15+;;.

What are the key properties of 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one?

7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 2115.58 g/mol, XLogP of 13.75, 17 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-4-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 157080763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).