6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

C25H27F4N5O2 — CID 46842669

IUPAC6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCOCCN1CCC(F)(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C25H27F4N5O2/c1-33-16-31-23-20(15-30)32-19(14-21(23)33)17-3-4-22(18(13-17)25(27,28)29)36-11-7-24(26)5-8-34(9-6-24)10-12-35-2/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyRRBYAQKFNKSSOM-UHFFFAOYSA-N
MW505.52 g/mol
LogP4.75
Rot. Bonds8

About 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile

6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 46842669) has the molecular formula C25H27F4N5O2 and a molecular weight of 505.52 g/mol. Its IUPAC name is 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID46842669
Molecular FormulaC25H27F4N5O2
Molecular Weight505.52 g/mol
Exact Mass505.21
IUPAC Name6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCOCCN1CCC(F)(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C25H27F4N5O2/c1-33-16-31-23-20(15-30)32-19(14-21(23)33)17-3-4-22(18(13-17)25(27,28)29)36-11-7-24(26)5-8-34(9-6-24)10-12-35-2/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyRRBYAQKFNKSSOM-UHFFFAOYSA-N
XLogP4.75
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 46842669) is 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is COCCN1CCC(F)(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is RRBYAQKFNKSSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N5O2/c1-33-16-31-23-20(15-30)32-19(14-21(23)33)17-3-4-22(18(13-17)25(27,28)29)36-11-7-24(26)5-8-34(9-6-24)10-12-35-2/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 505.52 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 46842669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).