1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine

C22H15N3S — CID 164626400

IUPAC1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2nn(-c3ccccc3)c3nccc(-c4cccs4)c23)cc1
InChIInChI=1S/C22H15N3S/c1-3-8-16(9-4-1)21-20-18(19-12-7-15-26-19)13-14-23-22(20)25(24-21)17-10-5-2-6-11-17/h1-15H
InChIKeyKHEWMKNNKQJGHS-UHFFFAOYSA-N
MW353.45 g/mol
LogP5.82
Rot. Bonds3

About 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine

1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine (PubChem CID 164626400) has the molecular formula C22H15N3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine
PubChem CID164626400
Molecular FormulaC22H15N3S
Molecular Weight353.45 g/mol
Exact Mass353.10
IUPAC Name1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2nn(-c3ccccc3)c3nccc(-c4cccs4)c23)cc1
InChIInChI=1S/C22H15N3S/c1-3-8-16(9-4-1)21-20-18(19-12-7-15-26-19)13-14-23-22(20)25(24-21)17-10-5-2-6-11-17/h1-15H
InChIKeyKHEWMKNNKQJGHS-UHFFFAOYSA-N
XLogP5.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

TH1020
CID 124203921
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
5-(3-Cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
CID 122193263
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine (CID 164626400) is 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine is c1ccc(-c2nn(-c3ccccc3)c3nccc(-c4cccs4)c23)cc1.
What is the InChIKey of 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine?
The InChIKey is KHEWMKNNKQJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3S/c1-3-8-16(9-4-1)21-20-18(19-12-7-15-26-19)13-14-23-22(20)25(24-21)17-10-5-2-6-11-17/h1-15H.
What are the key properties of 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine?
1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine has a molecular weight of 353.45 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164626400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).