7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

C104H108N30O5S — CID 159107108

About 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159107108) has the molecular formula C104H108N30O5S and a molecular weight of 1890.28 g/mol. Its IUPAC name is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 159107108
• Molecular Formula: C104H108N30O5S
• Molecular Weight: 1890.28 g/mol
• Exact Mass: 1888.88
• IUPAC Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc2cn1.Cc1cn2nc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1
• InChI: InChI=1S/C22H22N4OS.C21H23N7O.C21H21N5O.2C20H21N7O/c1-14-23-18-5-3-16(11-20(18)28-14)19-12-22(27)26-13-17(4-6-21(26)24-19)15-7-9-25(2)10-8-15;1-13-11-28-17(8-22-13)6-19(25-28)18-7-21(29)27-12-16(4-5-20(27)24-18)26-9-14(2)23-15(3)10-26;1-14-11-25-12-17(3-4-19(25)23-14)18-10-21(27)26-13-16(2-5-20(26)24-18)15-6-8-22-9-7-15;1-14-12-27-16(11-21-14)9-18(23-27)17-10-20(28)26-13-15(3-4-19(26)22-17)25-7-5-24(2)6-8-25;1-13-10-25(6-5-21-13)15-3-4-19-23-17(8-20(28)26(19)12-15)18-7-16-9-22-14(2)11-27(16)24-18/h3-6,11-13,15H,7-10H2,1-2H3;4-8,11-12,14-15,23H,9-10H2,1-3H3;2-5,10-13,15,22H,6-9H2,1H3;3-4,9-13H,5-8H2,1-2H3;3-4,7-9,11-13,21H,5-6,10H2,1-2H3/t;14-,15+;;;13-/m....0/s1
• InChIKey: KEAHDFLIHFEOMV-JTLPQISSSA-N
• XLogP: 11.75
• TPSA: 344.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.28
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 159107108) is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc2cn1.Cc1cn2nc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1.

What is the InChIKey of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is KEAHDFLIHFEOMV-JTLPQISSSA-N. The full InChI is InChI=1S/C22H22N4OS.C21H23N7O.C21H21N5O.2C20H21N7O/c1-14-23-18-5-3-16(11-20(18)28-14)19-12-22(27)26-13-17(4-6-21(26)24-19)15-7-9-25(2)10-8-15;1-13-11-28-17(8-22-13)6-19(25-28)18-7-21(29)27-12-16(4-5-20(27)24-18)26-9-14(2)23-15(3)10-26;1-14-11-25-12-17(3-4-19(25)23-14)18-10-21(27)26-13-16(2-5-20(26)24-18)15-6-8-22-9-7-15;1-14-12-27-16(11-21-14)9-18(23-27)17-10-20(28)26-13-15(3-4-19(26)22-17)25-7-5-24(2)6-8-25;1-13-10-25(6-5-21-13)15-3-4-19-23-17(8-20(28)26(19)12-15)18-7-16-9-22-14(2)11-27(16)24-18/h3-6,11-13,15H,7-10H2,1-2H3;4-8,11-12,14-15,23H,9-10H2,1-3H3;2-5,10-13,15,22H,6-9H2,1H3;3-4,9-13H,5-8H2,1-2H3;3-4,7-9,11-13,21H,5-6,10H2,1-2H3/t;14-,15+;;;13-/m....0/s1.

What are the key properties of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1890.28 g/mol, XLogP of 11.75, 10 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159107108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).