3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C24H19FN4O — CID 146012397

IUPAC3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccncc1
InChIInChI=1S/C24H19FN4O/c25-19-3-1-17(2-4-19)21-22-20(9-14-28-24(22)30)29(15-16-5-10-26-11-6-16)23(21)18-7-12-27-13-8-18/h1-8,10-13H,9,14-15H2,(H,28,30)
InChIKeyMMVGCRLCCPLXIB-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.09
Rot. Bonds4

About 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012397) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012397
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccncc1
InChIInChI=1S/C24H19FN4O/c25-19-3-1-17(2-4-19)21-22-20(9-14-28-24(22)30)29(15-16-5-10-26-11-6-16)23(21)18-7-12-27-13-8-18/h1-8,10-13H,9,14-15H2,(H,28,30)
InChIKeyMMVGCRLCCPLXIB-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-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 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012397) is 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccncc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is MMVGCRLCCPLXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c25-19-3-1-17(2-4-19)21-22-20(9-14-28-24(22)30)29(15-16-5-10-26-11-6-16)23(21)18-7-12-27-13-8-18/h1-8,10-13H,9,14-15H2,(H,28,30).
What are the key properties of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 398.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).