3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one

C18H14N4O — CID 645041

IUPAC3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2nc(=O)n(-c3ccccc3)cc12
InChIInChI=1S/C18H14N4O/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyRJZQFCCWMUIQTN-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.88
Rot. Bonds2

About 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one

3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 645041) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID645041
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2nc(=O)n(-c3ccccc3)cc12
InChIInChI=1S/C18H14N4O/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyRJZQFCCWMUIQTN-UHFFFAOYSA-N
XLogP2.88
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

8-amino-2,6-diphenyl-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 137645728
4-Amino-5-butyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698869
4-Amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698849
4-Amino-1-(2-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698856
4-Amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698857
4-Amino-1-(4-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698858
4-Amino-5-ethyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698867
4-Amino-1-phenyl-5-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698868
4-Amino-1,5-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-6(5H)-one
CID 15698870
4-Amino-1-(4-aminophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698876
2,6-Diphenyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 157710347
(15R)-13,17-diphenyl-2,8,12,13,17-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,11-pentaen-9-one
CID 134924278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one (CID 645041) is 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one is Cc1nn(-c2ccccc2)c2nc(=O)n(-c3ccccc3)cc12.
What is the InChIKey of 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is RJZQFCCWMUIQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one?
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 302.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 645041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).