2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one

C105H105F3N28O7 — CID 158853792

About 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158853792) has the molecular formula C105H105F3N28O7 and a molecular weight of 1928.18 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 158853792
• Molecular Formula: C105H105F3N28O7
• Molecular Weight: 1928.18 g/mol
• Exact Mass: 1926.87
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: C=C(/C=C\c1ncc(C(F)(F)F)[nH]1)c1cc(=O)n2cc(N3CCNCC3)ccc2n1.CCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.COc1ccc(-c2cc(=O)n3cc(-c4ccnc(C)c4)ccc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1C
• InChI: InChI=1S/C22H19N3O3.C21H23N7O.2C21H22N6O.C20H19F3N6O/c1-14-10-15(8-9-23-14)17-5-7-21-24-18(12-22(26)25(21)13-17)16-4-6-19(27-2)20(11-16)28-3;1-13-10-26(7-6-22-13)16-4-5-20-24-17(9-21(29)27(20)12-16)18-8-19-15(3)23-14(2)11-28(19)25-18;1-14-15(2)26-12-16(3-5-19(26)23-14)18-11-21(28)27-13-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-13(2-4-17-25-11-16(27-17)20(21,22)23)15-10-19(30)29-12-14(3-5-18(29)26-15)28-8-6-24-7-9-28/h4-13H,1-3H3;4-5,8-9,11-13,22H,6-7,10H2,1-3H3;3-6,11-13,22H,7-10H2,1-2H3;3-6,11-14,22H,2,7-10H2,1H3;2-5,10-12,24H,1,6-9H2,(H,25,27)/b;;;;4-2-/t;13-;;;/m.0.../s1
• InChIKey: IZUARPBFBZZCJS-WDSQLFEZSA-N
• XLogP: 12.16
• TPSA: 357.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1928.18
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one (CID 158853792) is 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one is C=C(/C=C\c1ncc(C(F)(F)F)[nH]1)c1cc(=O)n2cc(N3CCNCC3)ccc2n1.CCc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.COc1ccc(-c2cc(=O)n3cc(-c4ccnc(C)c4)ccc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc2c(C)n1.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cn2c1C.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is IZUARPBFBZZCJS-WDSQLFEZSA-N. The full InChI is InChI=1S/C22H19N3O3.C21H23N7O.2C21H22N6O.C20H19F3N6O/c1-14-10-15(8-9-23-14)17-5-7-21-24-18(12-22(26)25(21)13-17)16-4-6-19(27-2)20(11-16)28-3;1-13-10-26(7-6-22-13)16-4-5-20-24-17(9-21(29)27(20)12-16)18-8-19-15(3)23-14(2)11-28(19)25-18;1-14-15(2)26-12-16(3-5-19(26)23-14)18-11-21(28)27-13-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-2-16-13-26-12-15(3-5-19(26)23-16)18-11-21(28)27-14-17(4-6-20(27)24-18)25-9-7-22-8-10-25;1-13(2-4-17-25-11-16(27-17)20(21,22)23)15-10-19(30)29-12-14(3-5-18(29)26-15)28-8-6-24-7-9-28/h4-13H,1-3H3;4-5,8-9,11-13,22H,6-7,10H2,1-3H3;3-6,11-13,22H,7-10H2,1-2H3;3-6,11-14,22H,2,7-10H2,1H3;2-5,10-12,24H,1,6-9H2,(H,25,27)/b;;;;4-2-/t;13-;;;/m.0.../s1.

What are the key properties of 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one?

2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1928.18 g/mol, XLogP of 12.16, 15 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[(3Z)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158853792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).