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

C17H11ClFN3OS — CID 90226338

IUPAC4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(F)ccc1-c1[nH]nc2nccc(-c3ccc(Cl)s3)c12
InChIInChI=1S/C17H11ClFN3OS/c1-23-12-8-9(19)2-3-10(12)16-15-11(13-4-5-14(18)24-13)6-7-20-17(15)22-21-16/h2-8H,1H3,(H,20,21,22)
InChIKeyVPUWOKDDNHQASL-UHFFFAOYSA-N
MW359.81 g/mol
LogP5.15
Rot. Bonds3

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

4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 90226338) has the molecular formula C17H11ClFN3OS and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID90226338
Molecular FormulaC17H11ClFN3OS
Molecular Weight359.81 g/mol
Exact Mass359.03
IUPAC Name4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(F)ccc1-c1[nH]nc2nccc(-c3ccc(Cl)s3)c12
InChIInChI=1S/C17H11ClFN3OS/c1-23-12-8-9(19)2-3-10(12)16-15-11(13-4-5-14(18)24-13)6-7-20-17(15)22-21-16/h2-8H,1H3,(H,20,21,22)
InChIKeyVPUWOKDDNHQASL-UHFFFAOYSA-N
XLogP5.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 55.15
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-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 90226338) is 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1cc(F)ccc1-c1[nH]nc2nccc(-c3ccc(Cl)s3)c12.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is VPUWOKDDNHQASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3OS/c1-23-12-8-9(19)2-3-10(12)16-15-11(13-4-5-14(18)24-13)6-7-20-17(15)22-21-16/h2-8H,1H3,(H,20,21,22).
What are the key properties of 4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 359.81 g/mol, XLogP of 5.15, 3 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-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90226338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).