[1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C19H17FN6O — CID 155816697

IUPAC[1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H17FN6O/c1-11-16-18(24-21)22-17(12-3-9-15(27-2)10-4-12)23-19(16)26(25-11)14-7-5-13(20)6-8-14/h3-10H,21H2,1-2H3,(H,22,23,24)
InChIKeyZHSSDECUVMMECP-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.22
Rot. Bonds4

About [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 155816697) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID155816697
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name[1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H17FN6O/c1-11-16-18(24-21)22-17(12-3-9-15(27-2)10-4-12)23-19(16)26(25-11)14-7-5-13(20)6-8-14/h3-10H,21H2,1-2H3,(H,22,23,24)
InChIKeyZHSSDECUVMMECP-UHFFFAOYSA-N
XLogP3.22
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 155816697) is [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is COc1ccc(-c2nc(NN)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ZHSSDECUVMMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-11-16-18(24-21)22-17(12-3-9-15(27-2)10-4-12)23-19(16)26(25-11)14-7-5-13(20)6-8-14/h3-10H,21H2,1-2H3,(H,22,23,24).
What are the key properties of [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 364.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 155816697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).