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

C26H19F4N3O — CID 146012364

IUPAC3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H19F4N3O/c27-20-7-3-17(4-8-20)22-23-21(11-14-32-25(23)34)33(24(22)18-9-12-31-13-10-18)15-16-1-5-19(6-2-16)26(28,29)30/h1-10,12-13H,11,14-15H2,(H,32,34)
InChIKeyQBYSUPTWDSUACQ-UHFFFAOYSA-N
MW465.45 g/mol
LogP5.71
Rot. Bonds4

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

3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012364) has the molecular formula C26H19F4N3O and a molecular weight of 465.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012364
Molecular FormulaC26H19F4N3O
Molecular Weight465.45 g/mol
Exact Mass465.15
IUPAC Name3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H19F4N3O/c27-20-7-3-17(4-8-20)22-23-21(11-14-32-25(23)34)33(24(22)18-9-12-31-13-10-18)15-16-1-5-19(6-2-16)26(28,29)30/h1-10,12-13H,11,14-15H2,(H,32,34)
InChIKeyQBYSUPTWDSUACQ-UHFFFAOYSA-N
XLogP5.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012364) is 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is QBYSUPTWDSUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N3O/c27-20-7-3-17(4-8-20)22-23-21(11-14-32-25(23)34)33(24(22)18-9-12-31-13-10-18)15-16-1-5-19(6-2-16)26(28,29)30/h1-10,12-13H,11,14-15H2,(H,32,34).
What are the key properties of 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 465.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-pyridin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).