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

C21H20FN3O — CID 10807715

IUPAC3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C)cc1)C2=O
InChIInChI=1S/C21H20FN3O/c1-3-19-18-12-13-24(16-8-4-14(2)5-9-16)21(26)20(18)25(23-19)17-10-6-15(22)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeySLTXJGKGZINTRG-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.09
Rot. Bonds3

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

3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10807715) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10807715
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C)cc1)C2=O
InChIInChI=1S/C21H20FN3O/c1-3-19-18-12-13-24(16-8-4-14(2)5-9-16)21(26)20(18)25(23-19)17-10-6-15(22)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeySLTXJGKGZINTRG-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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10807715) is 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C)cc1)C2=O.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is SLTXJGKGZINTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-3-19-18-12-13-24(16-8-4-14(2)5-9-16)21(26)20(18)25(23-19)17-10-6-15(22)7-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-6-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-ethyl-1-(4-fluorophenyl)-6-(4-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-(4-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10807715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).