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

C42H48N8O6 — CID 162119615

IUPAC2-(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
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNC(C)(C)C4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC
InChIInChI=1S/C22H26N4O3.C20H22N4O3/c1-22(2)14-25(10-9-23-22)16-6-8-20-24-17(12-21(27)26(20)13-16)15-5-7-18(28-3)19(11-15)29-4;1-26-17-5-3-14(11-18(17)27-2)16-12-20(25)24-13-15(4-6-19(24)22-16)23-9-7-21-8-10-23/h5-8,11-13,23H,9-10,14H2,1-4H3;3-6,11-13,21H,7-10H2,1-2H3
InChIKeyZHFSXSUHUQSZGA-UHFFFAOYSA-N
MW760.90 g/mol
LogP4.36
Rot. Bonds8

About 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

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 (PubChem CID 162119615) has the molecular formula C42H48N8O6 and a molecular weight of 760.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID162119615
Molecular FormulaC42H48N8O6
Molecular Weight760.90 g/mol
Exact Mass760.37
IUPAC Name2-(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
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNC(C)(C)C4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC
InChIInChI=1S/C22H26N4O3.C20H22N4O3/c1-22(2)14-25(10-9-23-22)16-6-8-20-24-17(12-21(27)26(20)13-16)15-5-7-18(28-3)19(11-15)29-4;1-26-17-5-3-14(11-18(17)27-2)16-12-20(25)24-13-15(4-6-19(24)22-16)23-9-7-21-8-10-23/h5-8,11-13,23H,9-10,14H2,1-4H3;3-6,11-13,21H,7-10H2,1-2H3
InChIKeyZHFSXSUHUQSZGA-UHFFFAOYSA-N
XLogP4.36
TPSA136.20 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2cc(=O)n3cc(N4CCNC(C)(C)C4)ccc3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1OC.
What is the InChIKey of 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?
The InChIKey is ZHFSXSUHUQSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.C20H22N4O3/c1-22(2)14-25(10-9-23-22)16-6-8-20-24-17(12-21(27)26(20)13-16)15-5-7-18(28-3)19(11-15)29-4;1-26-17-5-3-14(11-18(17)27-2)16-12-20(25)24-13-15(4-6-19(24)22-16)23-9-7-21-8-10-23/h5-8,11-13,23H,9-10,14H2,1-4H3;3-6,11-13,21H,7-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 760.90 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162119615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).