7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C116H132N34O8 — CID 157453214

About 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157453214) has the molecular formula C116H132N34O8 and a molecular weight of 2130.56 g/mol. Its IUPAC name is 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157453214
• Molecular Formula: C116H132N34O8
• Molecular Weight: 2130.56 g/mol
• Exact Mass: 2129.10
• IUPAC Name: 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC6C(CCN6CC)C5)ccc4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC6C(CCN6CCO)C5)ccc4n3)cc12.COc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(C(C)C)CC5)ncc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(=O)[nH]1
• InChI: InChI=1S/C26H31N7O2.C26H31N7O.C23H26N6O.C21H23N7O2.C20H21N7O2/c1-3-20-24-12-22(29-33(24)14-17(2)27-20)21-13-26(35)32-16-19(4-5-25(32)28-21)31-9-7-23-18(15-31)6-8-30(23)10-11-34;1-4-20-24-12-22(29-33(24)14-17(3)27-20)21-13-26(34)32-16-19(6-7-25(32)28-21)31-11-9-23-18(15-31)8-10-30(23)5-2;1-15(2)27-8-6-17(7-9-27)20-14-29-22(11-24-20)26-19(10-23(29)30)18-4-5-21-25-16(3)12-28(21)13-18;1-14-12-28-18(21(22-14)30-3)10-17(24-28)16-11-20(29)27-13-15(4-5-19(27)23-16)26-8-6-25(2)7-9-26;1-13-11-27-17(20(29)21-13)9-16(23-27)15-10-19(28)26-12-14(3-4-18(26)22-15)25-7-5-24(2)6-8-25/h4-5,12-14,16,18,23,34H,3,6-11,15H2,1-2H3;6-7,12-14,16,18,23H,4-5,8-11,15H2,1-3H3;4-5,10-15,17H,6-9H2,1-3H3;4-5,10-13H,6-9H2,1-3H3;3-4,9-12H,5-8H2,1-2H3,(H,21,29)
• InChIKey: BTARWXGOHYRWNQ-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 401.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.56
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157453214) is 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC6C(CCN6CC)C5)ccc4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCC6C(CCN6CCO)C5)ccc4n3)cc12.COc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(C(C)C)CC5)ncc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(=O)[nH]1.

What is the InChIKey of 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BTARWXGOHYRWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2.C26H31N7O.C23H26N6O.C21H23N7O2.C20H21N7O2/c1-3-20-24-12-22(29-33(24)14-17(2)27-20)21-13-26(35)32-16-19(4-5-25(32)28-21)31-9-7-23-18(15-31)6-8-30(23)10-11-34;1-4-20-24-12-22(29-33(24)14-17(3)27-20)21-13-26(34)32-16-19(6-7-25(32)28-21)31-11-9-23-18(15-31)8-10-30(23)5-2;1-15(2)27-8-6-17(7-9-27)20-14-29-22(11-24-20)26-19(10-23(29)30)18-4-5-21-25-16(3)12-28(21)13-18;1-14-12-28-18(21(22-14)30-3)10-17(24-28)16-11-20(29)27-13-15(4-5-19(27)23-16)26-8-6-25(2)7-9-26;1-13-11-27-17(20(29)21-13)9-16(23-27)15-10-19(28)26-12-14(3-4-18(26)22-15)25-7-5-24(2)6-8-25/h4-5,12-14,16,18,23,34H,3,6-11,15H2,1-2H3;6-7,12-14,16,18,23H,4-5,8-11,15H2,1-3H3;4-5,10-15,17H,6-9H2,1-3H3;4-5,10-13H,6-9H2,1-3H3;3-4,9-12H,5-8H2,1-2H3,(H,21,29).

What are the key properties of 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2130.56 g/mol, XLogP of 10.89, 17 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-ethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxy-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157453214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).