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

C20H15FN2O2 — CID 155595321

IUPAC2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H15FN2O2/c1-25-18-5-3-2-4-16(18)19-17-12-23(14-8-6-13(21)7-9-14)20(24)15(17)10-11-22-19/h2-11H,12H2,1H3
InChIKeyZUDKNNCYJMCVPR-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.06
Rot. Bonds3

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

2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 155595321) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID155595321
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H15FN2O2/c1-25-18-5-3-2-4-16(18)19-17-12-23(14-8-6-13(21)7-9-14)20(24)15(17)10-11-22-19/h2-11H,12H2,1H3
InChIKeyZUDKNNCYJMCVPR-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.06
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-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 155595321) is 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccccc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZUDKNNCYJMCVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-25-18-5-3-2-4-16(18)19-17-12-23(14-8-6-13(21)7-9-14)20(24)15(17)10-11-22-19/h2-11H,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 334.35 g/mol, XLogP of 4.06, 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-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 155595321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).