6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

C20H19F4N3O2 — CID 118512536

IUPAC6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(CC(F)(F)F)c(-c2cc3c(cn2)cnn3C2CCCCO2)cc1F
InChIInChI=1S/C20H19F4N3O2/c1-28-18-6-12(9-20(22,23)24)14(7-15(18)21)16-8-17-13(10-25-16)11-26-27(17)19-4-2-3-5-29-19/h6-8,10-11,19H,2-5,9H2,1H3
InChIKeyYQWAYMXPXOXCDS-UHFFFAOYSA-N
MW409.38 g/mol
LogP5.05
Rot. Bonds4

About 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 118512536) has the molecular formula C20H19F4N3O2 and a molecular weight of 409.38 g/mol. Its IUPAC name is 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID118512536
Molecular FormulaC20H19F4N3O2
Molecular Weight409.38 g/mol
Exact Mass409.14
IUPAC Name6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(CC(F)(F)F)c(-c2cc3c(cn2)cnn3C2CCCCO2)cc1F
InChIInChI=1S/C20H19F4N3O2/c1-28-18-6-12(9-20(22,23)24)14(7-15(18)21)16-8-17-13(10-25-16)11-26-27(17)19-4-2-3-5-29-19/h6-8,10-11,19H,2-5,9H2,1H3
InChIKeyYQWAYMXPXOXCDS-UHFFFAOYSA-N
XLogP5.05
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 118512536) is 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is COc1cc(CC(F)(F)F)c(-c2cc3c(cn2)cnn3C2CCCCO2)cc1F.
What is the InChIKey of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is YQWAYMXPXOXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O2/c1-28-18-6-12(9-20(22,23)24)14(7-15(18)21)16-8-17-13(10-25-16)11-26-27(17)19-4-2-3-5-29-19/h6-8,10-11,19H,2-5,9H2,1H3.
What are the key properties of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 409.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118512536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).