6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H21N5O — CID 136969960

IUPAC6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(CNc2nc3c(cnn3CC(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C17H21N5O/c1-11(2)10-22-15-14(9-19-22)16(23)21-17(20-15)18-8-13-6-4-12(3)5-7-13/h4-7,9,11H,8,10H2,1-3H3,(H2,18,20,21,23)
InChIKeyQZECMALLPDQCND-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.70
Rot. Bonds5

About 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969960) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969960
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(CNc2nc3c(cnn3CC(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C17H21N5O/c1-11(2)10-22-15-14(9-19-22)16(23)21-17(20-15)18-8-13-6-4-12(3)5-7-13/h4-7,9,11H,8,10H2,1-3H3,(H2,18,20,21,23)
InChIKeyQZECMALLPDQCND-UHFFFAOYSA-N
XLogP2.70
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-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

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
N-(1-ethyl-1-(4-methylphenyl)propyl)-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 135464340
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
6-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135567004
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
1-[4-(dimethylamino)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869430
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
5-(benzylideneamino)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 9564675

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969960) is 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(CNc2nc3c(cnn3CC(C)C)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QZECMALLPDQCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(2)10-22-15-14(9-19-22)16(23)21-17(20-15)18-8-13-6-4-12(3)5-7-13/h4-7,9,11H,8,10H2,1-3H3,(H2,18,20,21,23).
What are the key properties of 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 311.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).