2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile

C24H24F3N7O — CID 134264241

About 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile

2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 134264241) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
• PubChem CID: 134264241
• Molecular Formula: C24H24F3N7O
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.20
• IUPAC Name: 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
• SMILES: Cc1ccc2nc(C)c(C#N)c(N3CCC(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)CC3)c2c1
• InChI: InChI=1S/C24H24F3N7O/c1-14-3-4-19-17(11-14)21(18(12-28)15(2)29-19)32-7-5-16(6-8-32)22(35)33-9-10-34-20(13-33)30-31-23(34)24(25,26)27/h3-4,11,16H,5-10,13H2,1-2H3
• InChIKey: NVRSGVDRYBFHCO-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 90.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?

The IUPAC name of 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile (CID 134264241) is 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile.

What is the SMILES notation for 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?

The canonical SMILES for 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile is Cc1ccc2nc(C)c(C#N)c(N3CCC(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)CC3)c2c1.

What is the InChIKey of 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?

The InChIKey is NVRSGVDRYBFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-14-3-4-19-17(11-14)21(18(12-28)15(2)29-19)32-7-5-16(6-8-32)22(35)33-9-10-34-20(13-33)30-31-23(34)24(25,26)27/h3-4,11,16H,5-10,13H2,1-2H3.

What are the key properties of 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?

2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 483.50 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 134264241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).