2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

C20H19N5OS — CID 176509254

IUPAC2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1csc(-c2nc3nn(-c4c(C)cc(C5CC5)cc4C)cc3c(=O)[nH]2)n1
InChIInChI=1S/C20H19N5OS/c1-10-6-14(13-4-5-13)7-11(2)16(10)25-8-15-17(24-25)22-18(23-19(15)26)20-21-12(3)9-27-20/h6-9,13H,4-5H2,1-3H3,(H,22,23,24,26)
InChIKeyLSJNMJQLWMWMRK-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 176509254) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID176509254
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1csc(-c2nc3nn(-c4c(C)cc(C5CC5)cc4C)cc3c(=O)[nH]2)n1
InChIInChI=1S/C20H19N5OS/c1-10-6-14(13-4-5-13)7-11(2)16(10)25-8-15-17(24-25)22-18(23-19(15)26)20-21-12(3)9-27-20/h6-9,13H,4-5H2,1-3H3,(H,22,23,24,26)
InChIKeyLSJNMJQLWMWMRK-UHFFFAOYSA-N
XLogP4.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-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

2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 176509214
5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137429404
2-[4-(difluoromethoxy)-2,6-dimethylphenyl]-6-pyridazin-3-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 176509236
CID 175611446
CID 175611446
5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 104770895
2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982286
4-tert-butyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137016841
5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136739044
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-pyrrolidin-1-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 167497585
5-(4-methyl-1,3-thiazol-2-yl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 75505949
4-(5-methylthiophen-3-yl)cyclohexan-1-one
CID 83261016
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 176509254) is 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is Cc1csc(-c2nc3nn(-c4c(C)cc(C5CC5)cc4C)cc3c(=O)[nH]2)n1.
What is the InChIKey of 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is LSJNMJQLWMWMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-10-6-14(13-4-5-13)7-11(2)16(10)25-8-15-17(24-25)22-18(23-19(15)26)20-21-12(3)9-27-20/h6-9,13H,4-5H2,1-3H3,(H,22,23,24,26).
What are the key properties of 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 377.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 176509254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).