7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

C65H67F3N20O3 — CID 159040772

About 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one

7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 159040772) has the molecular formula C65H67F3N20O3 and a molecular weight of 1233.38 g/mol. Its IUPAC name is 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 159040772
• Molecular Formula: C65H67F3N20O3
• Molecular Weight: 1233.38 g/mol
• Exact Mass: 1232.57
• IUPAC Name: 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC6(CC5)CNC6)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1
• InChI: InChI=1S/C23H25N7O.C22H21F3N6O.C20H21N7O/c1-15-11-30-20(16(2)25-15)9-19(27-30)18-10-22(31)29-12-17(3-4-21(29)26-18)28-7-5-23(6-8-28)13-24-14-23;1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25/h3-4,9-12,24H,5-8,13-14H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;3-6,11-13H,7-10H2,1-2H3
• InChIKey: JWAIWKAWPIFHTL-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 209.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.38
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one (CID 159040772) is 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCC6(CC5)CNC6)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cn2n1.

What is the InChIKey of 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is JWAIWKAWPIFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C22H21F3N6O.C20H21N7O/c1-15-11-30-20(16(2)25-15)9-19(27-30)18-10-22(31)29-12-17(3-4-21(29)26-18)28-7-5-23(6-8-28)13-24-14-23;1-14-11-30-12-15(9-17(21(30)26-14)22(23,24)25)18-10-20(32)31-13-16(3-4-19(31)27-18)29-7-5-28(2)6-8-29;1-14-21-19-5-3-15(12-27(19)23-14)17-11-20(28)26-13-16(4-6-18(26)22-17)25-9-7-24(2)8-10-25/h3-4,9-12,24H,5-8,13-14H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;3-6,11-13H,7-10H2,1-2H3.

What are the key properties of 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one?

7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1233.38 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 159040772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).