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

C17H11F3N4S — CID 2465725

IUPAC1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C17H11F3N4S/c18-17(19,20)13-7-14(15-4-2-6-25-15)23-16-12(13)9-22-24(16)10-11-3-1-5-21-8-11/h1-9H,10H2
InChIKeyIAMZJFCPXZQNTF-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.62
Rot. Bonds3

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

1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 2465725) has the molecular formula C17H11F3N4S and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID2465725
Molecular FormulaC17H11F3N4S
Molecular Weight360.36 g/mol
Exact Mass360.07
IUPAC Name1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C17H11F3N4S/c18-17(19,20)13-7-14(15-4-2-6-25-15)23-16-12(13)9-22-24(16)10-11-3-1-5-21-8-11/h1-9H,10H2
InChIKeyIAMZJFCPXZQNTF-UHFFFAOYSA-N
XLogP4.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
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
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
Adenosine receptor antagonist 3
CID 146268692
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 2465725) is 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is IAMZJFCPXZQNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4S/c18-17(19,20)13-7-14(15-4-2-6-25-15)23-16-12(13)9-22-24(16)10-11-3-1-5-21-8-11/h1-9H,10H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 360.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 2465725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).