2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C₁₀₃H₁₀₉F₂N₂₁O₁₁ — CID 157317462

About 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 157317462) has the molecular formula C₁₀₃H₁₀₉F₂N₂₁O₁₁ and a molecular weight of 1855.14 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157317462
• Molecular Formula: C₁₀₃H₁₀₉F₂N₂₁O₁₁
• Molecular Weight: 1855.14 g/mol
• Exact Mass: 1853.86
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1cc(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1.COc1cc(F)cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)c1.COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)cc(C)c3n2)cc1OC.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc(C)c2n1
• InChI: InChI=1S/C22H26N4O3.C21H22N6O.C21H21N3O3.C20H21FN4O2.C19H19FN4O2/c1-14-9-17(25-8-7-23-15(2)12-25)13-26-21(27)11-18(24-22(14)26)16-5-6-19(28-3)20(10-16)29-4;1-14-9-16(12-26-11-15(2)23-21(14)26)18-10-20(28)27-13-17(3-4-19(27)24-18)25-7-5-22-6-8-25;1-26-18-5-3-15(11-19(18)27-2)17-12-21(25)24-13-16(4-6-20(24)23-17)14-7-9-22-10-8-14;1-13-11-24(6-5-22-13)16-3-4-19-23-18(10-20(26)25(19)12-16)14-7-15(21)9-17(8-14)27-2;1-26-16-9-13(8-14(20)10-16)17-11-19(25)24-12-15(2-3-18(24)22-17)23-6-4-21-5-7-23/h5-6,9-11,13,15,23H,7-8,12H2,1-4H3;3-4,9-13,22H,5-8H2,1-2H3;3-7,11-13,22H,8-10H2,1-2H3;3-4,7-10,12-13,22H,5-6,11H2,1-2H3;2-3,8-12,21H,4-7H2,1H3/t15-;;;13-;/m0..0./s1
• InChIKey: BDTUQTVEQAFTSQ-BBFYSWRHSA-N
• XLogP: 11.50
• TPSA: 317.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.14
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 157317462) is 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is COc1cc(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)c1.COc1cc(F)cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)c1.COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)cc(C)c3n2)cc1OC.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc(C)c2n1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BDTUQTVEQAFTSQ-BBFYSWRHSA-N. The full InChI is InChI=1S/C22H26N4O3.C21H22N6O.C21H21N3O3.C20H21FN4O2.C19H19FN4O2/c1-14-9-17(25-8-7-23-15(2)12-25)13-26-21(27)11-18(24-22(14)26)16-5-6-19(28-3)20(10-16)29-4;1-14-9-16(12-26-11-15(2)23-21(14)26)18-10-20(28)27-13-17(3-4-19(27)24-18)25-7-5-22-6-8-25;1-26-18-5-3-15(11-19(18)27-2)17-12-21(25)24-13-16(4-6-20(24)23-17)14-7-9-22-10-8-14;1-13-11-24(6-5-22-13)16-3-4-19-23-18(10-20(26)25(19)12-16)14-7-15(21)9-17(8-14)27-2;1-26-16-9-13(8-14(20)10-16)17-11-19(25)24-12-15(2-3-18(24)22-17)23-6-4-21-5-7-23/h5-6,9-11,13,15,23H,7-8,12H2,1-4H3;3-4,9-13,22H,5-8H2,1-2H3;3-7,11-13,22H,8-10H2,1-2H3;3-4,7-10,12-13,22H,5-6,11H2,1-2H3;2-3,8-12,21H,4-7H2,1H3/t15-;;;13-;/m0..0./s1.

What are the key properties of 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1855.14 g/mol, XLogP of 11.50, 16 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157317462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157317462 — identifiers, structure, computed properties (public domain)

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