4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine

C17H10F3N3S — CID 71729718

IUPAC4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1
InChIInChI=1S/C17H10F3N3S/c18-17(19,20)12-3-1-2-10(8-12)16-14-13(22-23-16)4-6-21-15(14)11-5-7-24-9-11/h1-9H,(H,22,23)
InChIKeyBCHOTFODJUVYDM-UHFFFAOYSA-N
MW345.35 g/mol
LogP5.37
Rot. Bonds2

About 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine

4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 71729718) has the molecular formula C17H10F3N3S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID71729718
Molecular FormulaC17H10F3N3S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1
InChIInChI=1S/C17H10F3N3S/c18-17(19,20)12-3-1-2-10(8-12)16-14-13(22-23-16)4-6-21-15(14)11-5-7-24-9-11/h1-9H,(H,22,23)
InChIKeyBCHOTFODJUVYDM-UHFFFAOYSA-N
XLogP5.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 55.37
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-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine (CID 71729718) is 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine is FC(F)(F)c1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1.
What is the InChIKey of 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is BCHOTFODJUVYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3S/c18-17(19,20)12-3-1-2-10(8-12)16-14-13(22-23-16)4-6-21-15(14)11-5-7-24-9-11/h1-9H,(H,22,23).
What are the key properties of 4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
4-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 345.35 g/mol, XLogP of 5.37, 2 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-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71729718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).