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

C21H20FN3O2 — CID 10690190

IUPAC3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C21H20FN3O2/c1-3-19-18-11-12-24(16-5-4-6-17(13-16)27-2)21(26)20(18)25(23-19)15-9-7-14(22)8-10-15/h4-10,13H,3,11-12H2,1-2H3
InChIKeyZGUMPRJSWQQMSQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.79
Rot. Bonds4

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

3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10690190) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10690190
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(OC)c1)C2=O
InChIInChI=1S/C21H20FN3O2/c1-3-19-18-11-12-24(16-5-4-6-17(13-16)27-2)21(26)20(18)25(23-19)15-9-7-14(22)8-10-15/h4-10,13H,3,11-12H2,1-2H3
InChIKeyZGUMPRJSWQQMSQ-UHFFFAOYSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10690190) is 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(OC)c1)C2=O.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is ZGUMPRJSWQQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-3-19-18-11-12-24(16-5-4-6-17(13-16)27-2)21(26)20(18)25(23-19)15-9-7-14(22)8-10-15/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 365.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluorophenyl)-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10690190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).