1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C13H10F3N3S — CID 2164249

IUPAC1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C13H10F3N3S/c1-7-11-8(13(14,15)16)6-9(10-4-3-5-20-10)17-12(11)19(2)18-7/h3-6H,1-2H3
InChIKeyPKIFDGUOTBDHOQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.02
Rot. Bonds1

About 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 2164249) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID2164249
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C13H10F3N3S/c1-7-11-8(13(14,15)16)6-9(10-4-3-5-20-10)17-12(11)19(2)18-7/h3-6H,1-2H3
InChIKeyPKIFDGUOTBDHOQ-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
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-[(2-Fluorophenyl)methyl]-7-thiophen-2-yltriazolo[4,5-d]pyrimidin-5-amine
CID 9880392
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
Alk-5-IN-1
CID 24880914
N-(Benzo[b]thiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347105
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 52948010
3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68753359
3-methyl-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-5-amine
CID 675346
3-Methyl-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 706123
4-(3,5-Dimethyl-pyrazol-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine
CID 750246

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 2164249) is 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(C)c2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is PKIFDGUOTBDHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c1-7-11-8(13(14,15)16)6-9(10-4-3-5-20-10)17-12(11)19(2)18-7/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 297.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 2164249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).