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

C26H22FN3O — CID 146012376

IUPAC3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cc1
InChIInChI=1S/C26H22FN3O/c1-17-2-4-18(5-3-17)16-30-22-12-15-29-26(31)24(22)23(19-6-8-21(27)9-7-19)25(30)20-10-13-28-14-11-20/h2-11,13-14H,12,15-16H2,1H3,(H,29,31)
InChIKeyODHJWDFUVGPIEZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.00
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012376) has the molecular formula C26H22FN3O and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012376
Molecular FormulaC26H22FN3O
Molecular Weight411.48 g/mol
Exact Mass411.17
IUPAC Name3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cc1
InChIInChI=1S/C26H22FN3O/c1-17-2-4-18(5-3-17)16-30-22-12-15-29-26(31)24(22)23(19-6-8-21(27)9-7-19)25(30)20-10-13-28-14-11-20/h2-11,13-14H,12,15-16H2,1H3,(H,29,31)
InChIKeyODHJWDFUVGPIEZ-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-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)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012376) is 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1ccc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ODHJWDFUVGPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O/c1-17-2-4-18(5-3-17)16-30-22-12-15-29-26(31)24(22)23(19-6-8-21(27)9-7-19)25(30)20-10-13-28-14-11-20/h2-11,13-14H,12,15-16H2,1H3,(H,29,31).
What are the key properties of 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 411.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).