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

C23H23F4N5O — CID 46842744

IUPAC6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCN1CCC(F)(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H23F4N5O/c1-31-8-5-22(24,6-9-31)7-10-33-20-4-3-15(11-16(20)23(25,26)27)17-12-19-21(18(13-28)30-17)29-14-32(19)2/h3-4,11-12,14H,5-10H2,1-2H3
InChIKeyIJKBTZIIFRSFKE-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.73
Rot. Bonds5

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

6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 46842744) has the molecular formula C23H23F4N5O and a molecular weight of 461.46 g/mol. Its IUPAC name is 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID46842744
Molecular FormulaC23H23F4N5O
Molecular Weight461.46 g/mol
Exact Mass461.18
IUPAC Name6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCN1CCC(F)(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H23F4N5O/c1-31-8-5-22(24,6-9-31)7-10-33-20-4-3-15(11-16(20)23(25,26)27)17-12-19-21(18(13-28)30-17)29-14-32(19)2/h3-4,11-12,14H,5-10H2,1-2H3
InChIKeyIJKBTZIIFRSFKE-UHFFFAOYSA-N
XLogP4.73
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 46842744) is 6-[4-[2-(4-fluoro-1-methylpiperidin-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-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is CN1CCC(F)(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is IJKBTZIIFRSFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O/c1-31-8-5-22(24,6-9-31)7-10-33-20-4-3-15(11-16(20)23(25,26)27)17-12-19-21(18(13-28)30-17)29-14-32(19)2/h3-4,11-12,14H,5-10H2,1-2H3.
What are the key properties of 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 461.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-fluoro-1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 46842744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).