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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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

C108H113N29O5S — CID 162198751

About 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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

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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 162198751) has the molecular formula C108H113N29O5S and a molecular weight of 1929.36 g/mol. Its IUPAC name is 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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: 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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: 162198751
• Molecular Formula: C108H113N29O5S
• Molecular Weight: 1929.36 g/mol
• Exact Mass: 1927.92
• IUPAC Name: 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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.Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1
• InChI: InChI=1S/C25H28N6O.C22H22N4OS.C21H21N5O.2C20H21N7O/c1-18-15-30-16-19(4-6-23(30)26-18)22-14-25(32)31-17-21(5-7-24(31)27-22)29-12-8-20(9-13-29)28-10-2-3-11-28;1-14-23-18-5-3-16(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;1-14-11-25-12-17(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/h4-7,14-17,20H,2-3,8-13H2,1H3;3-6,11-13,15H,7-10H2,1-2H3;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;;;;13-/m....0/s1
• InChIKey: ZRHKTHUUWSJINL-GGVKEFNHSA-N
• XLogP: 13.23
• TPSA: 323.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.36
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 162198751) is 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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.Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2cn1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc2cn1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc2s1.

What is the InChIKey of 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 ZRHKTHUUWSJINL-GGVKEFNHSA-N. The full InChI is InChI=1S/C25H28N6O.C22H22N4OS.C21H21N5O.2C20H21N7O/c1-18-15-30-16-19(4-6-23(30)26-18)22-14-25(32)31-17-21(5-7-24(31)27-22)29-12-8-20(9-13-29)28-10-2-3-11-28;1-14-23-18-5-3-16(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;1-14-11-25-12-17(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/h4-7,14-17,20H,2-3,8-13H2,1H3;3-6,11-13,15H,7-10H2,1-2H3;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;;;;13-/m....0/s1.

What are the key properties of 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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?

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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 1929.36 g/mol, XLogP of 13.23, 11 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[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 162198751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).