7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C91H104N26O4 — CID 160773440

About 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 160773440) has the molecular formula C91H104N26O4 and a molecular weight of 1626.01 g/mol. Its IUPAC name is 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 160773440
• Molecular Formula: C91H104N26O4
• Molecular Weight: 1626.01 g/mol
• Exact Mass: 1624.87
• IUPAC Name: 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCN(CC)C[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.CCNC[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cnn(C)c12.Cc1cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc2cnn(C)c12
• InChI: InChI=1S/C25H31N7O.C23H27N7O.C22H24N6O.C21H22N6O/c1-5-29(6-2)14-19-9-10-30(15-19)20-7-8-24-27-21(12-25(33)31(24)16-20)22-11-23-18(4)26-17(3)13-32(23)28-22;1-4-24-11-17-7-8-28(13-17)18-5-6-22-26-19(10-23(31)29(22)14-18)20-9-21-16(3)25-15(2)12-30(21)27-20;1-14-8-16(9-17-11-24-26(3)22(14)17)19-10-21(29)28-13-18(4-5-20(28)25-19)27-7-6-23-15(2)12-27;1-14-9-15(10-16-12-23-25(2)21(14)16)18-11-20(28)27-13-17(3-4-19(27)24-18)26-7-5-22-6-8-26/h7-8,11-13,16,19H,5-6,9-10,14-15H2,1-4H3;5-6,9-10,12,14,17,24H,4,7-8,11,13H2,1-3H3;4-5,8-11,13,15,23H,6-7,12H2,1-3H3;3-4,9-13,22H,5-8H2,1-2H3/t19-;17-;15-;/m000./s1
• InChIKey: RZPXSMJPCJYFHX-SGFPDTQKSA-N
• XLogP: 9.97
• TPSA: 285.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.01
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 160773440) is 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CCN(CC)C[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.CCNC[C@@H]1CCN(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)C1.Cc1cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc2cnn(C)c12.Cc1cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc2cnn(C)c12.

What is the InChIKey of 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is RZPXSMJPCJYFHX-SGFPDTQKSA-N. The full InChI is InChI=1S/C25H31N7O.C23H27N7O.C22H24N6O.C21H22N6O/c1-5-29(6-2)14-19-9-10-30(15-19)20-7-8-24-27-21(12-25(33)31(24)16-20)22-11-23-18(4)26-17(3)13-32(23)28-22;1-4-24-11-17-7-8-28(13-17)18-5-6-22-26-19(10-23(31)29(22)14-18)20-9-21-16(3)25-15(2)12-30(21)27-20;1-14-8-16(9-17-11-24-26(3)22(14)17)19-10-21(29)28-13-18(4-5-20(28)25-19)27-7-6-23-15(2)12-27;1-14-9-15(10-16-12-23-25(2)21(14)16)18-11-20(28)27-13-17(3-4-19(27)24-18)26-7-5-22-6-8-26/h7-8,11-13,16,19H,5-6,9-10,14-15H2,1-4H3;5-6,9-10,12,14,17,24H,4,7-8,11,13H2,1-3H3;4-5,8-11,13,15,23H,6-7,12H2,1-3H3;3-4,9-13,22H,5-8H2,1-2H3/t19-;17-;15-;/m000./s1.

What are the key properties of 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1626.01 g/mol, XLogP of 9.97, 15 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160773440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).