2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C21H21N5O2 — CID 71711829

IUPAC2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2o1
InChIInChI=1S/C21H21N5O2/c1-14-22-17-5-3-15(11-19(17)28-14)18-12-21(27)26-13-16(4-6-20(26)23-18)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWASUGDAQGOVUEJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71711829) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID71711829
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2o1
InChIInChI=1S/C21H21N5O2/c1-14-22-17-5-3-15(11-19(17)28-14)18-12-21(27)26-13-16(4-6-20(26)23-18)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWASUGDAQGOVUEJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-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-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 71711829) is 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WASUGDAQGOVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-22-17-5-3-15(11-19(17)28-14)18-12-21(27)26-13-16(4-6-20(26)23-18)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 375.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71711829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).