9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C20H22N4O3 — CID 142511447

IUPAC9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNCC4)cc(OC)c3n2)cc1
InChIInChI=1S/C20H22N4O3/c1-26-16-5-3-14(4-6-16)17-12-19(25)24-13-15(23-9-7-21-8-10-23)11-18(27-2)20(24)22-17/h3-6,11-13,21H,7-10H2,1-2H3
InChIKeyYWZHUWFKNCLCOE-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.79
Rot. Bonds4

About 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511447) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511447
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNCC4)cc(OC)c3n2)cc1
InChIInChI=1S/C20H22N4O3/c1-26-16-5-3-14(4-6-16)17-12-19(25)24-13-15(23-9-7-21-8-10-23)11-18(27-2)20(24)22-17/h3-6,11-13,21H,7-10H2,1-2H3
InChIKeyYWZHUWFKNCLCOE-UHFFFAOYSA-N
XLogP1.79
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159440378
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 162119615
2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 123359713
7-[(3S)-3-methylpiperazin-1-yl]-2-phenylpyrido[1,2-a]pyrimidin-4-one;2-phenyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 157433400
2-(3-fluoro-4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374142
2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711544
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374099
2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[4-methoxy-3-(trifluoromethoxy)phenyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-[4-methoxy-3-(trifluoromethoxy)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 158008696
3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one
CID 85079110
7-(1,4-diazepan-1-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 157275267

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 142511447) is 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)cc(OC)c3n2)cc1.
What is the InChIKey of 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YWZHUWFKNCLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-16-5-3-14(4-6-16)17-12-19(25)24-13-15(23-9-7-21-8-10-23)11-18(27-2)20(24)22-17/h3-6,11-13,21H,7-10H2,1-2H3.
What are the key properties of 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).