1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one

C18H19N5O3 — CID 7243598

IUPAC1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21
InChIInChI=1S/C18H19N5O3/c1-13-4-2-3-5-15(13)23-17-14(10-20-23)18(25)22(12-19-17)11-16(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNWWSIIYCALTNGT-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7243598) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7243598
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21
InChIInChI=1S/C18H19N5O3/c1-13-4-2-3-5-15(13)23-17-14(10-20-23)18(25)22(12-19-17)11-16(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNWWSIIYCALTNGT-UHFFFAOYSA-N
XLogP0.75
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]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 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7243598) is 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21.
What is the InChIKey of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NWWSIIYCALTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-13-4-2-3-5-15(13)23-17-14(10-20-23)18(25)22(12-19-17)11-16(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 353.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7243598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).