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

C24H21ClF3N7O — CID 53328435

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

1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride (PubChem CID 53328435) has the molecular formula C24H21ClF3N7O and a molecular weight of 515.93 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride
• PubChem CID: 53328435
• Molecular Formula: C24H21ClF3N7O
• Molecular Weight: 515.93 g/mol
• Exact Mass: 515.14
• IUPAC Name: 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride
• SMILES: Cl.Cn1nnc2c(C#N)nc(-c3ccc(OCCC4CN(c5ccccn5)C4)c(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C24H20F3N7O.ClH/c1-33-20-11-18(30-19(12-28)23(20)31-32-33)16-5-6-21(17(10-16)24(25,26)27)35-9-7-15-13-34(14-15)22-4-2-3-8-29-22;/h2-6,8,10-11,15H,7,9,13-14H2,1H3;1H
• InChIKey: MAMHKOYDSPKUSC-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 92.75 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.93
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?

The IUPAC name of 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride (CID 53328435) is 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride.

What is the SMILES notation for 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?

The canonical SMILES for 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride is Cl.Cn1nnc2c(C#N)nc(-c3ccc(OCCC4CN(c5ccccn5)C4)c(C(F)(F)F)c3)cc21.

What is the InChIKey of 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?

The InChIKey is MAMHKOYDSPKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O.ClH/c1-33-20-11-18(30-19(12-28)23(20)31-32-33)16-5-6-21(17(10-16)24(25,26)27)35-9-7-15-13-34(14-15)22-4-2-3-8-29-22;/h2-6,8,10-11,15H,7,9,13-14H2,1H3;1H.

What are the key properties of 1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?

1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride has a molecular weight of 515.93 g/mol, XLogP of 4.64, 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-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 53328435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).