5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H18N4O3 — CID 78793445

IUPAC5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc2c(Cn3cnc4c(cnn4-c4ccccc4C)c3=O)cc(=O)oc2c1
InChIInChI=1S/C23H18N4O3/c1-14-7-8-17-16(10-21(28)30-20(17)9-14)12-26-13-24-22-18(23(26)29)11-25-27(22)19-6-4-3-5-15(19)2/h3-11,13H,12H2,1-2H3
InChIKeyOLUZLAXYFYGALZ-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.35
Rot. Bonds3

About 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 78793445) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID78793445
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc2c(Cn3cnc4c(cnn4-c4ccccc4C)c3=O)cc(=O)oc2c1
InChIInChI=1S/C23H18N4O3/c1-14-7-8-17-16(10-21(28)30-20(17)9-14)12-26-13-24-22-18(23(26)29)11-25-27(22)19-6-4-3-5-15(19)2/h3-11,13H,12H2,1-2H3
InChIKeyOLUZLAXYFYGALZ-UHFFFAOYSA-N
XLogP3.35
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)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

Related Compounds

5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243818
1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243659
5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71916816
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
N,N-dimethyl-3-[[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide
CID 78793622
1-(2-methylphenyl)-5-[(3-nitrophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243663
5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243915
1-(2-methylphenyl)-5-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 78793433
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243598
1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71962728
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160449

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 78793445) is 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc2c(Cn3cnc4c(cnn4-c4ccccc4C)c3=O)cc(=O)oc2c1.
What is the InChIKey of 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OLUZLAXYFYGALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-14-7-8-17-16(10-21(28)30-20(17)9-14)12-26-13-24-22-18(23(26)29)11-25-27(22)19-6-4-3-5-15(19)2/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 398.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 78793445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).