2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C23H28N4O3 — CID 123359713

IUPAC2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CC(C)NC(C)C4)cc(C)c3n2)cc1OC
InChIInChI=1S/C23H28N4O3/c1-14-8-18(26-11-15(2)24-16(3)12-26)13-27-22(28)10-19(25-23(14)27)17-6-7-20(29-4)21(9-17)30-5/h6-10,13,15-16,24H,11-12H2,1-5H3
InChIKeyAJTLSSXMMRHLBL-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.87
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 123359713) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID123359713
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CC(C)NC(C)C4)cc(C)c3n2)cc1OC
InChIInChI=1S/C23H28N4O3/c1-14-8-18(26-11-15(2)24-16(3)12-26)13-27-22(28)10-19(25-23(14)27)17-6-7-20(29-4)21(9-17)30-5/h6-10,13,15-16,24H,11-12H2,1-5H3
InChIKeyAJTLSSXMMRHLBL-UHFFFAOYSA-N
XLogP2.87
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 123359713) is 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CC(C)NC(C)C4)cc(C)c3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AJTLSSXMMRHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-8-18(26-11-15(2)24-16(3)12-26)13-27-22(28)10-19(25-23(14)27)17-6-7-20(29-4)21(9-17)30-5/h6-10,13,15-16,24H,11-12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 408.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123359713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).