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

C26H18F5N3O — CID 146012404

IUPAC3-(4-fluorophenyl)-1-[[2-fluoro-6-(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)n2Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C26H18F5N3O/c27-17-6-4-15(5-7-17)22-23-21(10-13-33-25(23)35)34(24(22)16-8-11-32-12-9-16)14-18-19(26(29,30)31)2-1-3-20(18)28/h1-9,11-12H,10,13-14H2,(H,33,35)
InChIKeyNBHUFKLUYMYTEG-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.85
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012404) has the molecular formula C26H18F5N3O and a molecular weight of 483.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[[2-fluoro-6-(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-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012404
Molecular FormulaC26H18F5N3O
Molecular Weight483.44 g/mol
Exact Mass483.14
IUPAC Name3-(4-fluorophenyl)-1-[[2-fluoro-6-(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)n2Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C26H18F5N3O/c27-17-6-4-15(5-7-17)22-23-21(10-13-33-25(23)35)34(24(22)16-8-11-32-12-9-16)14-18-19(26(29,30)31)2-1-3-20(18)28/h1-9,11-12H,10,13-14H2,(H,33,35)
InChIKeyNBHUFKLUYMYTEG-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-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[[2-fluoro-6-(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-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012404) is 3-(4-fluorophenyl)-1-[[2-fluoro-6-(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-[[2-fluoro-6-(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-[[2-fluoro-6-(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)n2Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is NBHUFKLUYMYTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F5N3O/c27-17-6-4-15(5-7-17)22-23-21(10-13-33-25(23)35)34(24(22)16-8-11-32-12-9-16)14-18-19(26(29,30)31)2-1-3-20(18)28/h1-9,11-12H,10,13-14H2,(H,33,35).
What are the key properties of 3-(4-fluorophenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-[[2-fluoro-6-(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-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).