2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide

C96H100F3N21O11 — CID 167712905

About 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide

2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide (PubChem CID 167712905) has the molecular formula C96H100F3N21O11 and a molecular weight of 1780.99 g/mol. Its IUPAC name is 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide.

Molecular Properties

• Compound Name: 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide
• PubChem CID: 167712905
• Molecular Formula: C96H100F3N21O11
• Molecular Weight: 1780.99 g/mol
• Exact Mass: 1779.79
• IUPAC Name: 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide
• SMILES: COc1cc(F)c(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC.COc1cc(F)c(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc1OC.Cc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1.O=Nc1cccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3[nH+]2)c1.O=c1cc(-c2cccc(F)c2)nc2ccc(N3CCNCC3)cn12.[OH-]
• InChI: InChI=1S/C21H23FN4O3.C20H21FN4O3.C19H20N4O.C18H17FN4O.C18H17N5O2.H2O/c1-13-11-25(7-6-23-13)14-4-5-20-24-17(10-21(27)26(20)12-14)15-8-18(28-2)19(29-3)9-16(15)22;1-27-17-9-14(15(21)10-18(17)28-2)16-11-20(26)25-12-13(3-4-19(25)23-16)24-7-5-22-6-8-24;1-14-2-4-15(5-3-14)17-12-19(24)23-13-16(6-7-18(23)21-17)22-10-8-20-9-11-22;19-14-3-1-2-13(10-14)16-11-18(24)23-12-15(4-5-17(23)21-16)22-8-6-20-7-9-22;24-18-11-16(13-2-1-3-14(10-13)21-25)20-17-5-4-15(12-23(17)18)22-8-6-19-7-9-22;/h4-5,8-10,12-13,23H,6-7,11H2,1-3H3;3-4,9-12,22H,5-8H2,1-2H3;2-7,12-13,20H,8-11H2,1H3;1-5,10-12,20H,6-9H2;1-5,10-12,19H,6-9H2;1H2/t13-;;;;;/m0...../s1
• InChIKey: UKDJVOWRGWUCJV-VFZNITTPSA-N
• XLogP: 9.64
• TPSA: 345.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.99
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide?

The IUPAC name of 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide (CID 167712905) is 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide.

What is the SMILES notation for 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide?

The canonical SMILES for 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide is COc1cc(F)c(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC.COc1cc(F)c(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc1OC.Cc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1.O=Nc1cccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3[nH+]2)c1.O=c1cc(-c2cccc(F)c2)nc2ccc(N3CCNCC3)cn12.[OH-].

What is the InChIKey of 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide?

The InChIKey is UKDJVOWRGWUCJV-VFZNITTPSA-N. The full InChI is InChI=1S/C21H23FN4O3.C20H21FN4O3.C19H20N4O.C18H17FN4O.C18H17N5O2.H2O/c1-13-11-25(7-6-23-13)14-4-5-20-24-17(10-21(27)26(20)12-14)15-8-18(28-2)19(29-3)9-16(15)22;1-27-17-9-14(15(21)10-18(17)28-2)16-11-20(26)25-12-13(3-4-19(25)23-16)24-7-5-22-6-8-24;1-14-2-4-15(5-3-14)17-12-19(24)23-13-16(6-7-18(23)21-17)22-10-8-20-9-11-22;19-14-3-1-2-13(10-14)16-11-18(24)23-12-15(4-5-17(23)21-16)22-8-6-20-7-9-22;24-18-11-16(13-2-1-3-14(10-13)21-25)20-17-5-4-15(12-23(17)18)22-8-6-19-7-9-22;/h4-5,8-10,12-13,23H,6-7,11H2,1-3H3;3-4,9-12,22H,5-8H2,1-2H3;2-7,12-13,20H,8-11H2,1H3;1-5,10-12,20H,6-9H2;1-5,10-12,19H,6-9H2;1H2/t13-;;;;;/m0...../s1.

What are the key properties of 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide?

2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide has a molecular weight of 1780.99 g/mol, XLogP of 9.64, 15 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoro-4,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(3-nitrosophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-1-ium-4-one;hydroxide is sourced from PubChem (CID 167712905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).