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

C25H28F3N5O2 — CID 46842624

IUPAC6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCOCCN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C25H28F3N5O2/c1-32-16-30-24-21(15-29)31-20(14-22(24)32)18-3-4-23(19(13-18)25(26,27)28)35-11-7-17-5-8-33(9-6-17)10-12-34-2/h3-4,13-14,16-17H,5-12H2,1-2H3
InChIKeyMHBYTIDIQSJEPB-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.65
Rot. Bonds8

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

6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 46842624) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID46842624
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCOCCN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C25H28F3N5O2/c1-32-16-30-24-21(15-29)31-20(14-22(24)32)18-3-4-23(19(13-18)25(26,27)28)35-11-7-17-5-8-33(9-6-17)10-12-34-2/h3-4,13-14,16-17H,5-12H2,1-2H3
InChIKeyMHBYTIDIQSJEPB-UHFFFAOYSA-N
XLogP4.65
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[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-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile (CID 46842624) is 6-[4-[2-[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-[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-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is COCCN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is MHBYTIDIQSJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-32-16-30-24-21(15-29)31-20(14-22(24)32)18-3-4-23(19(13-18)25(26,27)28)35-11-7-17-5-8-33(9-6-17)10-12-34-2/h3-4,13-14,16-17H,5-12H2,1-2H3.
What are the key properties of 6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 487.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 46842624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).