2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one

C21H20N6O2 — CID 137373858

IUPAC2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1
InChIInChI=1S/C21H20N6O2/c1-14-10-20(28)26-12-15(2-4-18(26)23-14)17-11-21(29)27-13-16(3-5-19(27)24-17)25-8-6-22-7-9-25/h2-5,10-13,22H,6-9H2,1H3
InChIKeyJZVBAMDHGJYSJH-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.09
Rot. Bonds2

About 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one

2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137373858) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID137373858
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1
InChIInChI=1S/C21H20N6O2/c1-14-10-20(28)26-12-15(2-4-18(26)23-14)17-11-21(29)27-13-16(3-5-19(27)24-17)25-8-6-22-7-9-25/h2-5,10-13,22H,6-9H2,1H3
InChIKeyJZVBAMDHGJYSJH-UHFFFAOYSA-N
XLogP1.09
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 137373858) is 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)ccc2n1.
What is the InChIKey of 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JZVBAMDHGJYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-10-20(28)26-12-15(2-4-18(26)23-14)17-11-21(29)27-13-16(3-5-19(27)24-17)25-8-6-22-7-9-25/h2-5,10-13,22H,6-9H2,1H3.
What are the key properties of 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 388.43 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137373858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).