2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C20H11F5N2O2 — CID 166631496

IUPAC2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2ccnc(-c3ccc(F)cc3OC(F)(F)F)c2CN1c1ccc(F)cc1
InChIInChI=1S/C20H11F5N2O2/c21-11-1-4-13(5-2-11)27-10-16-14(19(27)28)7-8-26-18(16)15-6-3-12(22)9-17(15)29-20(23,24)25/h1-9H,10H2
InChIKeyOKEOHJKTOSJWSV-UHFFFAOYSA-N
MW406.31 g/mol
LogP5.09
Rot. Bonds3

About 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166631496) has the molecular formula C20H11F5N2O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166631496
Molecular FormulaC20H11F5N2O2
Molecular Weight406.31 g/mol
Exact Mass406.07
IUPAC Name2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2ccnc(-c3ccc(F)cc3OC(F)(F)F)c2CN1c1ccc(F)cc1
InChIInChI=1S/C20H11F5N2O2/c21-11-1-4-13(5-2-11)27-10-16-14(19(27)28)7-8-26-18(16)15-6-3-12(22)9-17(15)29-20(23,24)25/h1-9H,10H2
InChIKeyOKEOHJKTOSJWSV-UHFFFAOYSA-N
XLogP5.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166631496) is 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2ccnc(-c3ccc(F)cc3OC(F)(F)F)c2CN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is OKEOHJKTOSJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N2O2/c21-11-1-4-13(5-2-11)27-10-16-14(19(27)28)7-8-26-18(16)15-6-3-12(22)9-17(15)29-20(23,24)25/h1-9H,10H2.
What are the key properties of 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 406.31 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166631496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).