7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C94H111N27O4 — CID 157334543

About 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157334543) has the molecular formula C94H111N27O4 and a molecular weight of 1683.11 g/mol. Its IUPAC name is 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157334543
• Molecular Formula: C94H111N27O4
• Molecular Weight: 1683.11 g/mol
• Exact Mass: 1681.93
• IUPAC Name: 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc12.CC[C@H]1CN(c2cc(C)c3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CCN1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(C)(N)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@H](C)C5)ccc4n3)cc2c(C)n1
• InChI: InChI=1S/2C24H29N7O.C23H27N7O.C23H26N6O/c1-15(2)29-9-8-28(13-17(29)4)19-6-7-23-26-20(11-24(32)30(23)14-19)21-10-22-18(5)25-16(3)12-31(22)27-21;1-5-6-19-22-9-21(28-31(22)13-17(4)26-19)20-10-24(32)30-14-18(7-8-23(30)27-20)29-11-15(2)25-16(3)12-29;1-5-17-12-28(7-6-24-17)18-8-14(2)23-26-19(10-22(31)29(23)13-18)20-9-21-16(4)25-15(3)11-30(21)27-20;1-15-12-28-13-17(10-20(28)16(2)25-15)19-11-22(30)29-14-18(4-5-21(29)26-19)27-8-6-23(3,24)7-9-27/h6-7,10-12,14-15,17H,8-9,13H2,1-5H3;7-10,13-16,25H,5-6,11-12H2,1-4H3;8-11,13,17,24H,5-7,12H2,1-4H3;4-5,10-14H,6-9,24H2,1-3H3/t17-;15-,16+;17-;/m1.0./s1
• InChIKey: BFRKZNOSZJTUKR-BHMCACGYSA-N
• XLogP: 11.25
• TPSA: 311.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1683.11
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 157334543) is 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc12.CC[C@H]1CN(c2cc(C)c3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CCN1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(C)(N)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C(C)C)[C@H](C)C5)ccc4n3)cc2c(C)n1.

What is the InChIKey of 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BFRKZNOSZJTUKR-BHMCACGYSA-N. The full InChI is InChI=1S/2C24H29N7O.C23H27N7O.C23H26N6O/c1-15(2)29-9-8-28(13-17(29)4)19-6-7-23-26-20(11-24(32)30(23)14-19)21-10-22-18(5)25-16(3)12-31(22)27-21;1-5-6-19-22-9-21(28-31(22)13-17(4)26-19)20-10-24(32)30-14-18(7-8-23(30)27-20)29-11-15(2)25-16(3)12-29;1-5-17-12-28(7-6-24-17)18-8-14(2)23-26-19(10-22(31)29(23)13-18)20-9-21-16(4)25-15(3)11-30(21)27-20;1-15-12-28-13-17(10-20(28)16(2)25-15)19-11-22(30)29-14-18(4-5-21(29)26-19)27-8-6-23(3,24)7-9-27/h6-7,10-12,14-15,17H,8-9,13H2,1-5H3;7-10,13-16,25H,5-6,11-12H2,1-4H3;8-11,13,17,24H,5-7,12H2,1-4H3;4-5,10-14H,6-9,24H2,1-3H3/t17-;15-,16+;17-;/m1.0./s1.

What are the key properties of 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1683.11 g/mol, XLogP of 11.25, 12 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-4-methylpiperidin-1-yl)-2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157334543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).