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

C19H13ClFN3O — CID 155554272

IUPAC3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2n[nH]c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13ClFN3O/c1-25-16-7-6-13(21)10-15(16)14-8-9-22-19-17(14)18(23-24-19)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23,24)
InChIKeyBNHUEWKNRYUQJR-UHFFFAOYSA-N
MW353.78 g/mol
LogP5.09
Rot. Bonds3

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

3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 155554272) has the molecular formula C19H13ClFN3O and a molecular weight of 353.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID155554272
Molecular FormulaC19H13ClFN3O
Molecular Weight353.78 g/mol
Exact Mass353.07
IUPAC Name3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(F)cc1-c1ccnc2n[nH]c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13ClFN3O/c1-25-16-7-6-13(21)10-15(16)14-8-9-22-19-17(14)18(23-24-19)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23,24)
InChIKeyBNHUEWKNRYUQJR-UHFFFAOYSA-N
XLogP5.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.78
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 155554272) is 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccc(F)cc1-c1ccnc2n[nH]c(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BNHUEWKNRYUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O/c1-25-16-7-6-13(21)10-15(16)14-8-9-22-19-17(14)18(23-24-19)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23,24).
What are the key properties of 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 353.78 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 155554272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).