4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine

C20H15FIN3O2 — CID 141188425

IUPAC4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(Cn2nc(I)c3c(Oc4ccccc4F)ccnc32)cc1
InChIInChI=1S/C20H15FIN3O2/c1-26-14-8-6-13(7-9-14)12-25-20-18(19(22)24-25)17(10-11-23-20)27-16-5-3-2-4-15(16)21/h2-11H,12H2,1H3
InChIKeyLMLPGJBPOJRMJH-UHFFFAOYSA-N
MW475.26 g/mol
LogP5.02
Rot. Bonds5

About 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine

4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine (PubChem CID 141188425) has the molecular formula C20H15FIN3O2 and a molecular weight of 475.26 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
PubChem CID141188425
Molecular FormulaC20H15FIN3O2
Molecular Weight475.26 g/mol
Exact Mass475.02
IUPAC Name4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(Cn2nc(I)c3c(Oc4ccccc4F)ccnc32)cc1
InChIInChI=1S/C20H15FIN3O2/c1-26-14-8-6-13(7-9-14)12-25-20-18(19(22)24-25)17(10-11-23-20)27-16-5-3-2-4-15(16)21/h2-11H,12H2,1H3
InChIKeyLMLPGJBPOJRMJH-UHFFFAOYSA-N
XLogP5.02
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.26
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine (CID 141188425) is 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine is COc1ccc(Cn2nc(I)c3c(Oc4ccccc4F)ccnc32)cc1.
What is the InChIKey of 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The InChIKey is LMLPGJBPOJRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FIN3O2/c1-26-14-8-6-13(7-9-14)12-25-20-18(19(22)24-25)17(10-11-23-20)27-16-5-3-2-4-15(16)21/h2-11H,12H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine has a molecular weight of 475.26 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 141188425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).