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

C26H18F5N3O — CID 146012374

IUPAC3-(4-fluorophenyl)-1-[[2-fluoro-4-(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)n2Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C26H18F5N3O/c27-19-5-2-15(3-6-19)22-23-21(9-12-33-25(23)35)34(24(22)16-7-10-32-11-8-16)14-17-1-4-18(13-20(17)28)26(29,30)31/h1-8,10-11,13H,9,12,14H2,(H,33,35)
InChIKeyFJNMNMLDEHTEHV-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.85
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012374) has the molecular formula C26H18F5N3O and a molecular weight of 483.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[[2-fluoro-4-(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-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012374
Molecular FormulaC26H18F5N3O
Molecular Weight483.44 g/mol
Exact Mass483.14
IUPAC Name3-(4-fluorophenyl)-1-[[2-fluoro-4-(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)n2Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C26H18F5N3O/c27-19-5-2-15(3-6-19)22-23-21(9-12-33-25(23)35)34(24(22)16-7-10-32-11-8-16)14-17-1-4-18(13-20(17)28)26(29,30)31/h1-8,10-11,13H,9,12,14H2,(H,33,35)
InChIKeyFJNMNMLDEHTEHV-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-4-(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-4-(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-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012374) is 3-(4-fluorophenyl)-1-[[2-fluoro-4-(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-4-(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-4-(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)n2Cc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 3-(4-fluorophenyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FJNMNMLDEHTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F5N3O/c27-19-5-2-15(3-6-19)22-23-21(9-12-33-25(23)35)34(24(22)16-7-10-32-11-8-16)14-17-1-4-18(13-20(17)28)26(29,30)31/h1-8,10-11,13H,9,12,14H2,(H,33,35).
What are the key properties of 3-(4-fluorophenyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-[[2-fluoro-4-(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-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).