1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C17H10F3N3S — CID 102336500

IUPAC1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1nn(-c2ccccc2)c2cc(-c3ccsc3)ncc12
InChIInChI=1S/C17H10F3N3S/c18-17(19,20)16-13-9-21-14(11-6-7-24-10-11)8-15(13)23(22-16)12-4-2-1-3-5-12/h1-10H
InChIKeyBEVNGRRVOCYCOD-UHFFFAOYSA-N
MW345.35 g/mol
LogP5.17
Rot. Bonds2

About 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 102336500) has the molecular formula C17H10F3N3S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID102336500
Molecular FormulaC17H10F3N3S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1nn(-c2ccccc2)c2cc(-c3ccsc3)ncc12
InChIInChI=1S/C17H10F3N3S/c18-17(19,20)16-13-9-21-14(11-6-7-24-10-11)8-15(13)23(22-16)12-4-2-1-3-5-12/h1-10H
InChIKeyBEVNGRRVOCYCOD-UHFFFAOYSA-N
XLogP5.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
US10377753, Example 130
CID 124175977
(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 6089311
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 102336500) is 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is FC(F)(F)c1nn(-c2ccccc2)c2cc(-c3ccsc3)ncc12.
What is the InChIKey of 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is BEVNGRRVOCYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3S/c18-17(19,20)16-13-9-21-14(11-6-7-24-10-11)8-15(13)23(22-16)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 345.35 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-thiophen-3-yl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 102336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).