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

C18H14ClN3OS — CID 90226325

IUPAC4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCCOc1ccccc1-c1[nH]nc2nccc(-c3ccc(Cl)s3)c12
InChIInChI=1S/C18H14ClN3OS/c1-2-23-13-6-4-3-5-11(13)17-16-12(14-7-8-15(19)24-14)9-10-20-18(16)22-21-17/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyFSZKCBULFOCDQN-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.41
Rot. Bonds4

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

4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 90226325) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID90226325
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCCOc1ccccc1-c1[nH]nc2nccc(-c3ccc(Cl)s3)c12
InChIInChI=1S/C18H14ClN3OS/c1-2-23-13-6-4-3-5-11(13)17-16-12(14-7-8-15(19)24-14)9-10-20-18(16)22-21-17/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyFSZKCBULFOCDQN-UHFFFAOYSA-N
XLogP5.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 90226325) is 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is CCOc1ccccc1-c1[nH]nc2nccc(-c3ccc(Cl)s3)c12.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is FSZKCBULFOCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-2-23-13-6-4-3-5-11(13)17-16-12(14-7-8-15(19)24-14)9-10-20-18(16)22-21-17/h3-10H,2H2,1H3,(H,20,21,22).
What are the key properties of 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 355.85 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90226325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).