7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C96H114N22O9 — CID 157461751

About 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157461751) has the molecular formula C96H114N22O9 and a molecular weight of 1720.11 g/mol. Its IUPAC name is 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157461751
• Molecular Formula: C96H114N22O9
• Molecular Weight: 1720.11 g/mol
• Exact Mass: 1718.91
• IUPAC Name: 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1cc(N2CCN3CCC[C@@H]3C2)cn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc12.COCCNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)cc(C)c4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@@H]6C5)cc(C)c4n3)cc2c(C)n1
• InChI: InChI=1S/C25H32N4O4.C25H30N4O3.C24H27N7O.C22H25N7O/c1-17-13-20(28-10-7-19(8-11-28)26-9-12-31-2)16-29-24(30)15-21(27-25(17)29)18-5-6-22(32-3)23(14-18)33-4;1-4-17-12-20(28-11-10-27-9-5-6-19(27)15-28)16-29-24(30)14-21(26-25(17)29)18-7-8-22(31-2)23(13-18)32-3;1-15-9-19(29-8-7-28-6-4-5-18(28)13-29)14-30-23(32)11-20(26-24(15)30)21-10-22-17(3)25-16(2)12-31(22)27-21;1-14-9-17(27-7-5-26(4)6-8-27)13-28-21(30)11-18(24-22(14)28)19-10-20-16(3)23-15(2)12-29(20)25-19/h5-6,13-16,19,26H,7-12H2,1-4H3;7-8,12-14,16,19H,4-6,9-11,15H2,1-3H3;9-12,14,18H,4-8,13H2,1-3H3;9-13H,5-8H2,1-4H3/t;19-;18-;/m.11./s1
• InChIKey: BTZWOLZNUUMAHF-AGUNCADPSA-N
• XLogP: 10.81
• TPSA: 278.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.11
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157461751) is 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1cc(N2CCN3CCC[C@@H]3C2)cn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc12.COCCNC1CCN(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)cc(C)c4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@@H]6C5)cc(C)c4n3)cc2c(C)n1.

What is the InChIKey of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BTZWOLZNUUMAHF-AGUNCADPSA-N. The full InChI is InChI=1S/C25H32N4O4.C25H30N4O3.C24H27N7O.C22H25N7O/c1-17-13-20(28-10-7-19(8-11-28)26-9-12-31-2)16-29-24(30)15-21(27-25(17)29)18-5-6-22(32-3)23(14-18)33-4;1-4-17-12-20(28-11-10-27-9-5-6-19(27)15-28)16-29-24(30)14-21(26-25(17)29)18-7-8-22(31-2)23(13-18)32-3;1-15-9-19(29-8-7-28-6-4-5-18(28)13-29)14-30-23(32)11-20(26-24(15)30)21-10-22-17(3)25-16(2)12-31(22)27-21;1-14-9-17(27-7-5-26(4)6-8-27)13-28-21(30)11-18(24-22(14)28)19-10-20-16(3)23-15(2)12-29(20)25-19/h5-6,13-16,19,26H,7-12H2,1-4H3;7-8,12-14,16,19H,4-6,9-11,15H2,1-3H3;9-12,14,18H,4-8,13H2,1-3H3;9-13H,5-8H2,1-4H3/t;19-;18-;/m.11./s1.

What are the key properties of 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1720.11 g/mol, XLogP of 10.81, 17 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-ethylpyrido[1,2-a]pyrimidin-4-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-(2-methoxyethylamino)piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157461751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).