4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C18H11F3N2OS — CID 90226251

IUPAC4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Oc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
InChIInChI=1S/C18H11F3N2OS/c19-18(20,21)24-13-3-1-2-11(8-13)15-9-23-17-16(15)14(4-6-22-17)12-5-7-25-10-12/h1-10H,(H,22,23)
InChIKeyGFEOZWSPYFBYRR-UHFFFAOYSA-N
MW360.36 g/mol
LogP5.86
Rot. Bonds3

About 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90226251) has the molecular formula C18H11F3N2OS and a molecular weight of 360.36 g/mol. Its IUPAC name is 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID90226251
Molecular FormulaC18H11F3N2OS
Molecular Weight360.36 g/mol
Exact Mass360.05
IUPAC Name4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Oc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
InChIInChI=1S/C18H11F3N2OS/c19-18(20,21)24-13-3-1-2-11(8-13)15-9-23-17-16(15)14(4-6-22-17)12-5-7-25-10-12/h1-10H,(H,22,23)
InChIKeyGFEOZWSPYFBYRR-UHFFFAOYSA-N
XLogP5.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.36
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 90226251) is 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)Oc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.
What is the InChIKey of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GFEOZWSPYFBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2OS/c19-18(20,21)24-13-3-1-2-11(8-13)15-9-23-17-16(15)14(4-6-22-17)12-5-7-25-10-12/h1-10H,(H,22,23).
What are the key properties of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 360.36 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90226251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).