ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C22H28N4O2 — CID 142511229

IUPACethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.COc1ccc(-c2ccc3nc(N4CCNCC4)cc(=O)n3c2)cc1C
InChIInChI=1S/C20H22N4O2.C2H6/c1-14-11-15(3-5-17(14)26-2)16-4-6-18-22-19(12-20(25)24(18)13-16)23-9-7-21-8-10-23;1-2/h3-6,11-13,21H,7-10H2,1-2H3;1-2H3
InChIKeyZALSJKDKGPODGH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.11
Rot. Bonds3

About ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511229) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511229
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Nameethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.COc1ccc(-c2ccc3nc(N4CCNCC4)cc(=O)n3c2)cc1C
InChIInChI=1S/C20H22N4O2.C2H6/c1-14-11-15(3-5-17(14)26-2)16-4-6-18-22-19(12-20(25)24(18)13-16)23-9-7-21-8-10-23;1-2/h3-6,11-13,21H,7-10H2,1-2H3;1-2H3
InChIKeyZALSJKDKGPODGH-UHFFFAOYSA-N
XLogP3.11
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
9-methoxy-2-(4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511447
3-(1,4-diazepan-1-ylmethyl)-6-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 66556606
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 157075719
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
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
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
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941533

Frequently Asked Questions

What is the IUPAC name of ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 142511229) is ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is CC.COc1ccc(-c2ccc3nc(N4CCNCC4)cc(=O)n3c2)cc1C.
What is the InChIKey of ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZALSJKDKGPODGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.C2H6/c1-14-11-15(3-5-17(14)26-2)16-4-6-18-22-19(12-20(25)24(18)13-16)23-9-7-21-8-10-23;1-2/h3-6,11-13,21H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 380.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).