[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol

C23H16FN3O — CID 16734813

IUPAC[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)cc1
InChIInChI=1S/C23H16FN3O/c24-18-5-7-19(8-6-18)27-23-17(12-26-27)11-21(22-13-25-10-9-20(22)23)16-3-1-15(14-28)2-4-16/h1-13,28H,14H2
InChIKeyCZXJVGVPOOCCCV-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.87
Rot. Bonds3

About [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol

[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol (PubChem CID 16734813) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol
PubChem CID16734813
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)cc1
InChIInChI=1S/C23H16FN3O/c24-18-5-7-19(8-6-18)27-23-17(12-26-27)11-21(22-13-25-10-9-20(22)23)16-3-1-15(14-28)2-4-16/h1-13,28H,14H2
InChIKeyCZXJVGVPOOCCCV-UHFFFAOYSA-N
XLogP4.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol?
The IUPAC name of [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol (CID 16734813) is [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol is OCc1ccc(-c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)cc1.
What is the InChIKey of [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol?
The InChIKey is CZXJVGVPOOCCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-18-5-7-19(8-6-18)27-23-17(12-26-27)11-21(22-13-25-10-9-20(22)23)16-3-1-15(14-28)2-4-16/h1-13,28H,14H2.
What are the key properties of [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol?
[4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol has a molecular weight of 369.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]phenyl]methanol is sourced from PubChem (CID 16734813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).