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

C26H18F5N3O — CID 146012372

IUPAC3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H18F5N3O/c27-19-3-1-16(2-4-19)22-23-21(7-10-33-25(23)35)34(24(22)17-5-8-32-9-6-17)14-15-11-18(26(29,30)31)13-20(28)12-15/h1-6,8-9,11-13H,7,10,14H2,(H,33,35)
InChIKeyMYTDQVMYIZVZIG-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.85
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012372) has the molecular formula C26H18F5N3O and a molecular weight of 483.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012372
Molecular FormulaC26H18F5N3O
Molecular Weight483.44 g/mol
Exact Mass483.14
IUPAC Name3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H18F5N3O/c27-19-3-1-16(2-4-19)22-23-21(7-10-33-25(23)35)34(24(22)17-5-8-32-9-6-17)14-15-11-18(26(29,30)31)13-20(28)12-15/h1-6,8-9,11-13H,7,10,14H2,(H,33,35)
InChIKeyMYTDQVMYIZVZIG-UHFFFAOYSA-N
XLogP5.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]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-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012372) is 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]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-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is MYTDQVMYIZVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F5N3O/c27-19-3-1-16(2-4-19)22-23-21(7-10-33-25(23)35)34(24(22)17-5-8-32-9-6-17)14-15-11-18(26(29,30)31)13-20(28)12-15/h1-6,8-9,11-13H,7,10,14H2,(H,33,35).
What are the key properties of 3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 483.44 g/mol, XLogP of 5.85, 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-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).