1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one

C21H17FN4O — CID 16733988

IUPAC1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one
SMILESO=C1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1
InChIInChI=1S/C21H17FN4O/c22-15-1-3-16(4-2-15)26-21-14(12-24-26)11-20(19-13-23-8-5-18(19)21)25-9-6-17(27)7-10-25/h1-5,8,11-13H,6-7,9-10H2
InChIKeyJMUGQBJJIAWZHO-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.88
Rot. Bonds2

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

1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one (PubChem CID 16733988) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one
PubChem CID16733988
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one
SMILESO=C1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1
InChIInChI=1S/C21H17FN4O/c22-15-1-3-16(4-2-15)26-21-14(12-24-26)11-20(19-13-23-8-5-18(19)21)25-9-6-17(27)7-10-25/h1-5,8,11-13H,6-7,9-10H2
InChIKeyJMUGQBJJIAWZHO-UHFFFAOYSA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one (CID 16733988) is 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one is O=C1CCN(c2cc3cnn(-c4ccc(F)cc4)c3c3ccncc23)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one?
The InChIKey is JMUGQBJJIAWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-15-1-3-16(4-2-15)26-21-14(12-24-26)11-20(19-13-23-8-5-18(19)21)25-9-6-17(27)7-10-25/h1-5,8,11-13H,6-7,9-10H2.
What are the key properties of 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one?
1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one has a molecular weight of 360.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazolo[3,4-f]isoquinolin-5-yl]piperidin-4-one is sourced from PubChem (CID 16733988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).