2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol

C14H12F3N3OS — CID 3301646

IUPAC2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol
SMILESCc1nn(CCO)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H12F3N3OS/c1-8-12-9(14(15,16)17)7-10(11-3-2-6-22-11)18-13(12)20(19-8)4-5-21/h2-3,6-7,21H,4-5H2,1H3
InChIKeyUNYSRPRQSLOJNF-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.48
Rot. Bonds3

About 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol

2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol (PubChem CID 3301646) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol
PubChem CID3301646
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC Name2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol
SMILESCc1nn(CCO)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H12F3N3OS/c1-8-12-9(14(15,16)17)7-10(11-3-2-6-22-11)18-13(12)20(19-8)4-5-21/h2-3,6-7,21H,4-5H2,1H3
InChIKeyUNYSRPRQSLOJNF-UHFFFAOYSA-N
XLogP3.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
2,5-Di(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2818919
5-Methyl-2-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819639
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
2-Methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2387196
3-[3-Methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide
CID 2424138
2-[(2,5,6-Trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 91800554
1,3-Diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine
CID 164626400
2-Phenyl-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 737221
3-[3-Methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanethioamide
CID 2324541
3-(8,9-dimethyl-2-(thiophen-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propan-1-ol
CID 8073389
6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 52948700

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol (CID 3301646) is 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol is Cc1nn(CCO)c2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol?
The InChIKey is UNYSRPRQSLOJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c1-8-12-9(14(15,16)17)7-10(11-3-2-6-22-11)18-13(12)20(19-8)4-5-21/h2-3,6-7,21H,4-5H2,1H3.
What are the key properties of 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol?
2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol has a molecular weight of 327.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethanol is sourced from PubChem (CID 3301646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).