6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H17N7O2 — CID 154871489

IUPAC6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CC(O)C2n2cccn2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H17N7O2/c26-14-9-13(15(14)24-8-4-7-19-24)21-18-22-16-12(17(27)23-18)10-20-25(16)11-5-2-1-3-6-11/h1-8,10,13-15,26H,9H2,(H2,21,22,23,27)
InChIKeyCAUJSNOFXVTXKD-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.09
Rot. Bonds4

About 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 154871489) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID154871489
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CC(O)C2n2cccn2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H17N7O2/c26-14-9-13(15(14)24-8-4-7-19-24)21-18-22-16-12(17(27)23-18)10-20-25(16)11-5-2-1-3-6-11/h1-8,10,13-15,26H,9H2,(H2,21,22,23,27)
InChIKeyCAUJSNOFXVTXKD-UHFFFAOYSA-N
XLogP1.09
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-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-(3-hydroxyazetidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136231502
1-[3-(3-Fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436682
3-(4-fluoroanilino)-1-[(1S,4R)-4-hydroxy-2-methyliminocyclohexyl]pyrazole-4-carboxamide
CID 130285610
5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146407159
1-(4-fluorophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60233820
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78847080
[1-(2-Fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78851958
1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78854330
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78854346
1-(2-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78854408
1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78854516
1-(2-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78855088

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 154871489) is 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NC2CC(O)C2n2cccn2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CAUJSNOFXVTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c26-14-9-13(15(14)24-8-4-7-19-24)21-18-22-16-12(17(27)23-18)10-20-25(16)11-5-2-1-3-6-11/h1-8,10,13-15,26H,9H2,(H2,21,22,23,27).
What are the key properties of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 363.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 154871489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).