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

C17H10F3N3OS — CID 155554551

IUPAC4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Oc1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-3-1-2-10(8-12)16-14-13(22-23-16)4-6-21-15(14)11-5-7-25-9-11/h1-9H,(H,22,23)
InChIKeyNOYSCBDWACNTLX-UHFFFAOYSA-N
MW361.35 g/mol
LogP5.25
Rot. Bonds3

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

4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 155554551) has the molecular formula C17H10F3N3OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID155554551
Molecular FormulaC17H10F3N3OS
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Oc1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-3-1-2-10(8-12)16-14-13(22-23-16)4-6-21-15(14)11-5-7-25-9-11/h1-9H,(H,22,23)
InChIKeyNOYSCBDWACNTLX-UHFFFAOYSA-N
XLogP5.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine (CID 155554551) is 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine is FC(F)(F)Oc1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1.
What is the InChIKey of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is NOYSCBDWACNTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS/c18-17(19,20)24-12-3-1-2-10(8-12)16-14-13(22-23-16)4-6-21-15(14)11-5-7-25-9-11/h1-9H,(H,22,23).
What are the key properties of 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine?
4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 361.35 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155554551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).