3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C22H22FN3O — CID 10594887

IUPAC3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O
InChIInChI=1S/C22H22FN3O/c1-2-3-9-20-19-14-15-25(17-7-5-4-6-8-17)22(27)21(19)26(24-20)18-12-10-16(23)11-13-18/h4-8,10-13H,2-3,9,14-15H2,1H3
InChIKeyKWAUYTZZYGXMBY-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.56
Rot. Bonds5

About 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10594887) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10594887
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O
InChIInChI=1S/C22H22FN3O/c1-2-3-9-20-19-14-15-25(17-7-5-4-6-8-17)22(27)21(19)26(24-20)18-12-10-16(23)11-13-18/h4-8,10-13H,2-3,9,14-15H2,1H3
InChIKeyKWAUYTZZYGXMBY-UHFFFAOYSA-N
XLogP4.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10594887) is 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O.
What is the InChIKey of 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is KWAUYTZZYGXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-2-3-9-20-19-14-15-25(17-7-5-4-6-8-17)22(27)21(19)26(24-20)18-12-10-16(23)11-13-18/h4-8,10-13H,2-3,9,14-15H2,1H3.
What are the key properties of 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 363.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10594887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).