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

C19H19F2N3O3 — CID 86722816

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)c(F)c(-c2cc3c(cn2)cnn3C2CCCCO2)c1F
InChIInChI=1S/C19H19F2N3O3/c1-25-14-8-15(26-2)19(21)17(18(14)20)12-7-13-11(9-22-12)10-23-24(13)16-5-3-4-6-27-16/h7-10,16H,3-6H2,1-2H3
InChIKeyVZDWPWVWYUTDFE-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.09
Rot. Bonds4

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

6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 86722816) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID86722816
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(OC)c(F)c(-c2cc3c(cn2)cnn3C2CCCCO2)c1F
InChIInChI=1S/C19H19F2N3O3/c1-25-14-8-15(26-2)19(21)17(18(14)20)12-7-13-11(9-22-12)10-23-24(13)16-5-3-4-6-27-16/h7-10,16H,3-6H2,1-2H3
InChIKeyVZDWPWVWYUTDFE-UHFFFAOYSA-N
XLogP4.09
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 86722816) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is COc1cc(OC)c(F)c(-c2cc3c(cn2)cnn3C2CCCCO2)c1F.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is VZDWPWVWYUTDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-25-14-8-15(26-2)19(21)17(18(14)20)12-7-13-11(9-22-12)10-23-24(13)16-5-3-4-6-27-16/h7-10,16H,3-6H2,1-2H3.
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 375.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86722816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).