6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile

C25H18FN5O — CID 146012385

IUPAC6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)nc1
InChIInChI=1S/C25H18FN5O/c26-19-4-2-17(3-5-19)22-23-21(9-12-29-25(23)32)31(24(22)18-7-10-28-11-8-18)15-20-6-1-16(13-27)14-30-20/h1-8,10-11,14H,9,12,15H2,(H,29,32)
InChIKeyJSSNCASFGDZGIS-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.96
Rot. Bonds4

About 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile

6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 146012385) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID146012385
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC Name6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)nc1
InChIInChI=1S/C25H18FN5O/c26-19-4-2-17(3-5-19)22-23-21(9-12-29-25(23)32)31(24(22)18-7-10-28-11-8-18)15-20-6-1-16(13-27)14-30-20/h1-8,10-11,14H,9,12,15H2,(H,29,32)
InChIKeyJSSNCASFGDZGIS-UHFFFAOYSA-N
XLogP3.96
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile 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 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile (CID 146012385) is 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)nc1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is JSSNCASFGDZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c26-19-4-2-17(3-5-19)22-23-21(9-12-29-25(23)32)31(24(22)18-7-10-28-11-8-18)15-20-6-1-16(13-27)14-30-20/h1-8,10-11,14H,9,12,15H2,(H,29,32).
What are the key properties of 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile?
6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 423.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146012385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).