2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

C98H112N26O4S — CID 161278144

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 161278144) has the molecular formula C98H112N26O4S and a molecular weight of 1750.22 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 161278144
• Molecular Formula: C98H112N26O4S
• Molecular Weight: 1750.22 g/mol
• Exact Mass: 1748.91
• IUPAC Name: 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCCCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCN(C)CC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)cc2s1
• InChI: InChI=1S/C26H32N8O.C26H31N7O.C25H29N7O.C21H20N4OS/c1-18-16-34-24(19(2)27-18)14-23(29-34)22-15-26(35)33-17-21(4-5-25(33)28-22)31-8-6-20(7-9-31)32-12-10-30(3)11-13-32;1-18-16-33-24(19(2)27-18)14-23(29-33)22-15-26(34)32-17-21(6-7-25(32)28-22)31-12-8-20(9-13-31)30-10-4-3-5-11-30;1-17-15-32-23(18(2)26-17)13-22(28-32)21-14-25(33)31-16-20(5-6-24(31)27-21)30-11-7-19(8-12-30)29-9-3-4-10-29;1-13-23-17-4-2-15(10-19(17)27-13)18-11-21(26)25-12-16(3-5-20(25)24-18)14-6-8-22-9-7-14/h4-5,14-17,20H,6-13H2,1-3H3;6-7,14-17,20H,3-5,8-13H2,1-2H3;5-6,13-16,19H,3-4,7-12H2,1-2H3;2-5,10-12,14,22H,6-9H2,1H3
• InChIKey: VESGIFJIKOWULA-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 275.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.22
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 161278144) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCCCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC(N6CCN(C)CC6)CC5)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)cc2s1.

What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is VESGIFJIKOWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O.C26H31N7O.C25H29N7O.C21H20N4OS/c1-18-16-34-24(19(2)27-18)14-23(29-34)22-15-26(35)33-17-21(4-5-25(33)28-22)31-8-6-20(7-9-31)32-12-10-30(3)11-13-32;1-18-16-33-24(19(2)27-18)14-23(29-33)22-15-26(34)32-17-21(6-7-25(32)28-22)31-12-8-20(9-13-31)30-10-4-3-5-11-30;1-17-15-32-23(18(2)26-17)13-22(28-32)21-14-25(33)31-16-20(5-6-24(31)27-21)30-11-7-19(8-12-30)29-9-3-4-10-29;1-13-23-17-4-2-15(10-19(17)27-13)18-11-21(26)25-12-16(3-5-20(25)24-18)14-6-8-22-9-7-14/h4-5,14-17,20H,6-13H2,1-3H3;6-7,14-17,20H,3-5,8-13H2,1-2H3;5-6,13-16,19H,3-4,7-12H2,1-2H3;2-5,10-12,14,22H,6-9H2,1H3.

What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1750.22 g/mol, XLogP of 12.55, 11 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 161278144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).