3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C21H20FN3O — CID 10760231

IUPAC3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1C)C2=O
InChIInChI=1S/C21H20FN3O/c1-3-18-17-12-13-24(19-7-5-4-6-14(19)2)21(26)20(17)25(23-18)16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyQJRRNRZDGHBNBI-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.09
Rot. Bonds3

About 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10760231) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10760231
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1C)C2=O
InChIInChI=1S/C21H20FN3O/c1-3-18-17-12-13-24(19-7-5-4-6-14(19)2)21(26)20(17)25(23-18)16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyQJRRNRZDGHBNBI-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-fubinaca
CID 58124399
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
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893
N-methyl-N-(2-phenylethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 24826946
(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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10760231) is 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1C)C2=O.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is QJRRNRZDGHBNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-3-18-17-12-13-24(19-7-5-4-6-14(19)2)21(26)20(17)25(23-18)16-10-8-15(22)9-11-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-ethyl-1-(4-fluorophenyl)-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 349.41 g/mol, XLogP of 4.09, 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-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10760231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).