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

C20H14F2N2O2 — CID 155595352

IUPAC4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cc(F)ccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H14F2N2O2/c1-26-18-10-13(22)4-7-16(18)19-17-11-24(14-5-2-12(21)3-6-14)20(25)15(17)8-9-23-19/h2-10H,11H2,1H3
InChIKeyBKHDHVURVNJFFH-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.20
Rot. Bonds3

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

4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 155595352) has the molecular formula C20H14F2N2O2 and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID155595352
Molecular FormulaC20H14F2N2O2
Molecular Weight352.34 g/mol
Exact Mass352.10
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cc(F)ccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H14F2N2O2/c1-26-18-10-13(22)4-7-16(18)19-17-11-24(14-5-2-12(21)3-6-14)20(25)15(17)8-9-23-19/h2-10H,11H2,1H3
InChIKeyBKHDHVURVNJFFH-UHFFFAOYSA-N
XLogP4.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 155595352) is 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cc(F)ccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is BKHDHVURVNJFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2/c1-26-18-10-13(22)4-7-16(18)19-17-11-24(14-5-2-12(21)3-6-14)20(25)15(17)8-9-23-19/h2-10H,11H2,1H3.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 352.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 155595352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).