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

C20H18FN3O — CID 23102

IUPAC3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O
InChIInChI=1S/C20H18FN3O/c1-2-18-17-12-13-23(15-6-4-3-5-7-15)20(25)19(17)24(22-18)16-10-8-14(21)9-11-16/h3-11H,2,12-13H2,1H3
InChIKeyPKFGHAIJIHZQFD-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.78
Rot. Bonds3

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

3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 23102) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID23102
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O
InChIInChI=1S/C20H18FN3O/c1-2-18-17-12-13-23(15-6-4-3-5-7-15)20(25)19(17)24(22-18)16-10-8-14(21)9-11-16/h3-11H,2,12-13H2,1H3
InChIKeyPKFGHAIJIHZQFD-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 945544
3-[6-{2'-[(Dimethylamino)methyl]biphenyl-4-Yl}-7-Oxo-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Pyrazolo[3,4-C]pyridin-1-Yl]benzamide
CID 9549214
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15603837
N-methyl-N-(2-phenylethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 24826946
1-({4-[6-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951944
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645923
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645924
2-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 23646172
3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]benzonitrile
CID 23646173
1-(3-aminophenyl)-6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646175
N-{3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}acetamide
CID 23646176
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-ethylphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646179

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 23102) is 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is PKFGHAIJIHZQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-2-18-17-12-13-23(15-6-4-3-5-7-15)20(25)19(17)24(22-18)16-10-8-14(21)9-11-16/h3-11H,2,12-13H2,1H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 335.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 23102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).