3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C23H20FN7O — CID 130300676

IUPAC3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCc1nn(C)c(-c2ccccc2)c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C23H20FN7O/c1-13-18(21(30(2)28-13)14-6-4-3-5-7-14)11-31-23-19(22(25)26-12-27-23)20(29-31)15-8-16(24)10-17(32)9-15/h3-10,12,32H,11H2,1-2H3,(H2,25,26,27)
InChIKeyHGISQDAVZJLECG-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.68
Rot. Bonds4

About 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 130300676) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID130300676
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCc1nn(C)c(-c2ccccc2)c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C23H20FN7O/c1-13-18(21(30(2)28-13)14-6-4-3-5-7-14)11-31-23-19(22(25)26-12-27-23)20(29-31)15-8-16(24)10-17(32)9-15/h3-10,12,32H,11H2,1-2H3,(H2,25,26,27)
InChIKeyHGISQDAVZJLECG-UHFFFAOYSA-N
XLogP3.68
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol 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

Torkinib
CID 135565635
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
3-{[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]ethynyl}phenol
CID 44475985
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
CID 24905145
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
3-(1-Methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenol
CID 46205037
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol
CID 24905300
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 130300676) is 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Cc1nn(C)c(-c2ccccc2)c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is HGISQDAVZJLECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-13-18(21(30(2)28-13)14-6-4-3-5-7-14)11-31-23-19(22(25)26-12-27-23)20(29-31)15-8-16(24)10-17(32)9-15/h3-10,12,32H,11H2,1-2H3,(H2,25,26,27).
What are the key properties of 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 429.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 130300676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).