5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C22H21N5O2 — CID 143223329

IUPAC5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(N3CCOCC3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H21N5O2/c1-16-7-9-17(10-8-16)26-21(28)19-15-23-27(18-5-3-2-4-6-18)20(19)24-22(26)25-11-13-29-14-12-25/h2-10,15H,11-14H2,1H3
InChIKeyTWTVRJRXONWYGB-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.72
Rot. Bonds3

About 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 143223329) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID143223329
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(N3CCOCC3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H21N5O2/c1-16-7-9-17(10-8-16)26-21(28)19-15-23-27(18-5-3-2-4-6-18)20(19)24-22(26)25-11-13-29-14-12-25/h2-10,15H,11-14H2,1H3
InChIKeyTWTVRJRXONWYGB-UHFFFAOYSA-N
XLogP2.72
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[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 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 143223329) is 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2c(N3CCOCC3)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is TWTVRJRXONWYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-16-7-9-17(10-8-16)26-21(28)19-15-23-27(18-5-3-2-4-6-18)20(19)24-22(26)25-11-13-29-14-12-25/h2-10,15H,11-14H2,1H3.
What are the key properties of 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 143223329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).