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

C23H24F3N5O — CID 53319501

IUPAC1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N5O/c1-30-8-5-15(6-9-30)7-10-32-21-4-3-16(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)2/h3-4,11-12,14-15H,5-10H2,1-2H3
InChIKeyNCEBMOHBHZAJOR-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.64
Rot. Bonds5

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

1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 53319501) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID53319501
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N5O/c1-30-8-5-15(6-9-30)7-10-32-21-4-3-16(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)2/h3-4,11-12,14-15H,5-10H2,1-2H3
InChIKeyNCEBMOHBHZAJOR-UHFFFAOYSA-N
XLogP4.64
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[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 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 53319501) is 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is NCEBMOHBHZAJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-30-8-5-15(6-9-30)7-10-32-21-4-3-16(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)2/h3-4,11-12,14-15H,5-10H2,1-2H3.
What are the key properties of 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 443.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[2-(1-methylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 53319501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).