6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

C19H19FIN3O3 — CID 86722861

IUPAC6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)c(F)c(-c2cc3c(cn2)c(I)nn3C2CCCCO2)c1
InChIInChI=1S/C19H19FIN3O3/c1-25-11-7-12(18(20)16(8-11)26-2)14-9-15-13(10-22-14)19(21)23-24(15)17-5-3-4-6-27-17/h7-10,17H,3-6H2,1-2H3
InChIKeyWCYICTGEKSIBQT-UHFFFAOYSA-N
MW483.28 g/mol
LogP4.56
Rot. Bonds4

About 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 86722861) has the molecular formula C19H19FIN3O3 and a molecular weight of 483.28 g/mol. Its IUPAC name is 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID86722861
Molecular FormulaC19H19FIN3O3
Molecular Weight483.28 g/mol
Exact Mass483.05
IUPAC Name6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)c(F)c(-c2cc3c(cn2)c(I)nn3C2CCCCO2)c1
InChIInChI=1S/C19H19FIN3O3/c1-25-11-7-12(18(20)16(8-11)26-2)14-9-15-13(10-22-14)19(21)23-24(15)17-5-3-4-6-27-17/h7-10,17H,3-6H2,1-2H3
InChIKeyWCYICTGEKSIBQT-UHFFFAOYSA-N
XLogP4.56
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.28
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 86722861) is 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is COc1cc(OC)c(F)c(-c2cc3c(cn2)c(I)nn3C2CCCCO2)c1.
What is the InChIKey of 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is WCYICTGEKSIBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FIN3O3/c1-25-11-7-12(18(20)16(8-11)26-2)14-9-15-13(10-22-14)19(21)23-24(15)17-5-3-4-6-27-17/h7-10,17H,3-6H2,1-2H3.
What are the key properties of 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 483.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86722861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).