4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C23H17FN4O — CID 71149331

IUPAC4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2c(-c3ccncc3F)ccnc2CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H17FN4O/c24-19-13-25-10-7-17(19)18-8-11-26-21-14-28(23(29)22(18)21)12-9-16-6-5-15-3-1-2-4-20(15)27-16/h1-8,10-11,13H,9,12,14H2
InChIKeyMFALPMMBEYWGFF-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.03
Rot. Bonds4

About 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 71149331) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID71149331
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2c(-c3ccncc3F)ccnc2CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H17FN4O/c24-19-13-25-10-7-17(19)18-8-11-26-21-14-28(23(29)22(18)21)12-9-16-6-5-15-3-1-2-4-20(15)27-16/h1-8,10-11,13H,9,12,14H2
InChIKeyMFALPMMBEYWGFF-UHFFFAOYSA-N
XLogP4.03
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 71149331) is 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2c(-c3ccncc3F)ccnc2CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MFALPMMBEYWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-19-13-25-10-7-17(19)18-8-11-26-21-14-28(23(29)22(18)21)12-9-16-6-5-15-3-1-2-4-20(15)27-16/h1-8,10-11,13H,9,12,14H2.
What are the key properties of 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 384.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-6-(2-quinolin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 71149331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).