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

C23H22F3N7O2 — CID 134264263

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

7-methoxy-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 134264263) has the molecular formula C23H22F3N7O2 and a molecular weight of 485.47 g/mol. Its IUPAC name is 7-methoxy-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: 7-methoxy-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: 134264263
• Molecular Formula: C23H22F3N7O2
• Molecular Weight: 485.47 g/mol
• Exact Mass: 485.18
• IUPAC Name: 7-methoxy-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: COc1ccc2c(N3CCC(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)CC3)c(C#N)cnc2c1
• InChI: InChI=1S/C23H22F3N7O2/c1-35-16-2-3-17-18(10-16)28-12-15(11-27)20(17)31-6-4-14(5-7-31)21(34)32-8-9-33-19(13-32)29-30-22(33)23(24,25)26/h2-3,10,12,14H,4-9,13H2,1H3
• InChIKey: WBRYSDRRUJFHSB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 100.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-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 7-methoxy-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 134264263) is 7-methoxy-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 7-methoxy-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 7-methoxy-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 COc1ccc2c(N3CCC(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)CC3)c(C#N)cnc2c1.

What is the InChIKey of 7-methoxy-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 WBRYSDRRUJFHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2/c1-35-16-2-3-17-18(10-16)28-12-15(11-27)20(17)31-6-4-14(5-7-31)21(34)32-8-9-33-19(13-32)29-30-22(33)23(24,25)26/h2-3,10,12,14H,4-9,13H2,1H3.

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

7-methoxy-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 485.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-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 134264263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).