6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine

C20H15FIN3O2 — CID 70642714

IUPAC6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(OC)cc(-c2ccc3c(-c4ccc(I)c(F)c4)[nH]nc3n2)c1
InChIInChI=1S/C20H15FIN3O2/c1-26-13-7-12(8-14(10-13)27-2)18-6-4-15-19(24-25-20(15)23-18)11-3-5-17(22)16(21)9-11/h3-10H,1-2H3,(H,23,24,25)
InChIKeyFJXQUVMAXSBUKY-UHFFFAOYSA-N
MW475.26 g/mol
LogP5.05
Rot. Bonds4

About 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine

6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 70642714) has the molecular formula C20H15FIN3O2 and a molecular weight of 475.26 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID70642714
Molecular FormulaC20H15FIN3O2
Molecular Weight475.26 g/mol
Exact Mass475.02
IUPAC Name6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(OC)cc(-c2ccc3c(-c4ccc(I)c(F)c4)[nH]nc3n2)c1
InChIInChI=1S/C20H15FIN3O2/c1-26-13-7-12(8-14(10-13)27-2)18-6-4-15-19(24-25-20(15)23-18)11-3-5-17(22)16(21)9-11/h3-10H,1-2H3,(H,23,24,25)
InChIKeyFJXQUVMAXSBUKY-UHFFFAOYSA-N
XLogP5.05
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.26
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine (CID 70642714) is 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine is COc1cc(OC)cc(-c2ccc3c(-c4ccc(I)c(F)c4)[nH]nc3n2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is FJXQUVMAXSBUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FIN3O2/c1-26-13-7-12(8-14(10-13)27-2)18-6-4-15-19(24-25-20(15)23-18)11-3-5-17(22)16(21)9-11/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine?
6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 475.26 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 70642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).