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

C26H24F3N7O — CID 53329699

IUPAC1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
SMILESCn1nnc2c(C#N)nc(-c3ccc(OCCC4CCN(c5ccccn5)CC4)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C26H24F3N7O/c1-35-22-15-20(32-21(16-30)25(22)33-34-35)18-5-6-23(19(14-18)26(27,28)29)37-13-9-17-7-11-36(12-8-17)24-4-2-3-10-31-24/h2-6,10,14-15,17H,7-9,11-13H2,1H3
InChIKeyCDJKUWKUDNQDHP-UHFFFAOYSA-N
MW507.52 g/mol
LogP5.00
Rot. Bonds6

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

1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile (PubChem CID 53329699) has the molecular formula C26H24F3N7O and a molecular weight of 507.52 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
PubChem CID53329699
Molecular FormulaC26H24F3N7O
Molecular Weight507.52 g/mol
Exact Mass507.20
IUPAC Name1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
SMILESCn1nnc2c(C#N)nc(-c3ccc(OCCC4CCN(c5ccccn5)CC4)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C26H24F3N7O/c1-35-22-15-20(32-21(16-30)25(22)33-34-35)18-5-6-23(19(14-18)26(27,28)29)37-13-9-17-7-11-36(12-8-17)24-4-2-3-10-31-24/h2-6,10,14-15,17H,7-9,11-13H2,1H3
InChIKeyCDJKUWKUDNQDHP-UHFFFAOYSA-N
XLogP5.00
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[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-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile (CID 53329699) is 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile is Cn1nnc2c(C#N)nc(-c3ccc(OCCC4CCN(c5ccccn5)CC4)c(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is CDJKUWKUDNQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O/c1-35-22-15-20(32-21(16-30)25(22)33-34-35)18-5-6-23(19(14-18)26(27,28)29)37-13-9-17-7-11-36(12-8-17)24-4-2-3-10-31-24/h2-6,10,14-15,17H,7-9,11-13H2,1H3.
What are the key properties of 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 507.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 53329699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).