3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine

C16H8Cl2FN3S — CID 90226340

IUPAC3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2[nH]nc3nccc(-c4ccc(Cl)s4)c23)c1Cl
InChIInChI=1S/C16H8Cl2FN3S/c17-12-5-4-11(23-12)8-6-7-20-16-13(8)15(21-22-16)9-2-1-3-10(19)14(9)18/h1-7H,(H,20,21,22)
InChIKeyJXNQEWMQDDEQKV-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.80
Rot. Bonds2

About 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine

3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 90226340) has the molecular formula C16H8Cl2FN3S and a molecular weight of 364.23 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID90226340
Molecular FormulaC16H8Cl2FN3S
Molecular Weight364.23 g/mol
Exact Mass362.98
IUPAC Name3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2[nH]nc3nccc(-c4ccc(Cl)s4)c23)c1Cl
InChIInChI=1S/C16H8Cl2FN3S/c17-12-5-4-11(23-12)8-6-7-20-16-13(8)15(21-22-16)9-2-1-3-10(19)14(9)18/h1-7H,(H,20,21,22)
InChIKeyJXNQEWMQDDEQKV-UHFFFAOYSA-N
XLogP5.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 90226340) is 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine is Fc1cccc(-c2[nH]nc3nccc(-c4ccc(Cl)s4)c23)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JXNQEWMQDDEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2FN3S/c17-12-5-4-11(23-12)8-6-7-20-16-13(8)15(21-22-16)9-2-1-3-10(19)14(9)18/h1-7H,(H,20,21,22).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 364.23 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).