4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine

C20H14F4N2O — CID 123875701

IUPAC4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine
SMILESFc1ccc(C2=CN(c3ccc(OC(F)(F)F)cc3)Cc3[nH]ccc32)cc1
InChIInChI=1S/C20H14F4N2O/c21-14-3-1-13(2-4-14)18-11-26(12-19-17(18)9-10-25-19)15-5-7-16(8-6-15)27-20(22,23)24/h1-11,25H,12H2
InChIKeyJTHYEBGTPASFEN-UHFFFAOYSA-N
MW374.34 g/mol
LogP5.46
Rot. Bonds3

About 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine

4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine (PubChem CID 123875701) has the molecular formula C20H14F4N2O and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine
PubChem CID123875701
Molecular FormulaC20H14F4N2O
Molecular Weight374.34 g/mol
Exact Mass374.10
IUPAC Name4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine
SMILESFc1ccc(C2=CN(c3ccc(OC(F)(F)F)cc3)Cc3[nH]ccc32)cc1
InChIInChI=1S/C20H14F4N2O/c21-14-3-1-13(2-4-14)18-11-26(12-19-17(18)9-10-25-19)15-5-7-16(8-6-15)27-20(22,23)24/h1-11,25H,12H2
InChIKeyJTHYEBGTPASFEN-UHFFFAOYSA-N
XLogP5.46
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrazolo[5,4-c]pyridine
CID 129093356
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1-[4-(trifluoromethoxy)phenyl]-2H-pyridine
CID 151254586
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091587
1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine
CID 123406044
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 166640991
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene
CID 153338729
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine (CID 123875701) is 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine is Fc1ccc(C2=CN(c3ccc(OC(F)(F)F)cc3)Cc3[nH]ccc32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine?
The InChIKey is JTHYEBGTPASFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O/c21-14-3-1-13(2-4-14)18-11-26(12-19-17(18)9-10-25-19)15-5-7-16(8-6-15)27-20(22,23)24/h1-11,25H,12H2.
What are the key properties of 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine?
4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine has a molecular weight of 374.34 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 123875701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).