3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol

C16H14FN7O — CID 156901275

IUPAC3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol
SMILESCc1ccn(-c2nc(N)nc3c2cnn3Cc2cc(O)ccc2F)n1
InChIInChI=1S/C16H14FN7O/c1-9-4-5-23(22-9)14-12-7-19-24(15(12)21-16(18)20-14)8-10-6-11(25)2-3-13(10)17/h2-7,25H,8H2,1H3,(H2,18,20,21)
InChIKeyRWAHRFIEBONROJ-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.80
Rot. Bonds3

About 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol

3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol (PubChem CID 156901275) has the molecular formula C16H14FN7O and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol.

Molecular Properties

Compound Name3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol
PubChem CID156901275
Molecular FormulaC16H14FN7O
Molecular Weight339.33 g/mol
Exact Mass339.12
IUPAC Name3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol
SMILESCc1ccn(-c2nc(N)nc3c2cnn3Cc2cc(O)ccc2F)n1
InChIInChI=1S/C16H14FN7O/c1-9-4-5-23(22-9)14-12-7-19-24(15(12)21-16(18)20-14)8-10-6-11(25)2-3-13(10)17/h2-7,25H,8H2,1H3,(H2,18,20,21)
InChIKeyRWAHRFIEBONROJ-UHFFFAOYSA-N
XLogP1.80
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(4-amino-2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901334
1-[(2,6-difluorophenyl)methyl]-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901336
1-[(4-amino-2-fluorophenyl)methyl]-4-(3-phenylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 156901329
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102
1-[(2,6-difluoro-4-nitrophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidin-6-amine;ethane
CID 156742416
1-[(4-amino-2,6-difluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172686661
4-chloro-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine;ethane
CID 142337445
6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706
4-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-fluorobenzonitrile
CID 142576114
4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine
CID 114842775
4-chloro-1-[[2-(iodomethyl)-4-methoxy-3,5-dimethylphenyl]methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 89359958
1-[(2,6-difluorophenyl)methyl]-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 172684570

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol?
The IUPAC name of 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol (CID 156901275) is 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol.
What is the SMILES notation for 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol?
The canonical SMILES for 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol is Cc1ccn(-c2nc(N)nc3c2cnn3Cc2cc(O)ccc2F)n1.
What is the InChIKey of 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol?
The InChIKey is RWAHRFIEBONROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7O/c1-9-4-5-23(22-9)14-12-7-19-24(15(12)21-16(18)20-14)8-10-6-11(25)2-3-13(10)17/h2-7,25H,8H2,1H3,(H2,18,20,21).
What are the key properties of 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol?
3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol has a molecular weight of 339.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-4-(3-methylpyrazol-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]-4-fluorophenol is sourced from PubChem (CID 156901275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).