2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine

C₆₄H₆₅BrF₆N₁₄O₄ — CID 167702119

About 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine (PubChem CID 167702119) has the molecular formula C₆₄H₆₅BrF₆N₁₄O₄ and a molecular weight of 1289.22 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine.

Molecular Properties

• Compound Name: 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine
• PubChem CID: 167702119
• Molecular Formula: C₆₄H₆₅BrF₆N₁₄O₄
• Molecular Weight: 1289.22 g/mol
• Exact Mass: 1287.45
• IUPAC Name: 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine
• SMILES: C.C.Cc1c(-c2nc3ccc(Br)cn3n2)[nH]c2ccccc2c1=O.Cc1c(-c2nc3ccc(C=O)cn3n2)[nH]c2ccccc2c1=O.Cc1c(-c2nc3ccc(CN4CCC(C(F)(F)F)CC4)cn3n2)[nH]c2ccccc2c1=O.FC(F)(F)C1CCNCC1.[H][2H]
• InChI: InChI=1S/C23H22F3N5O.C17H12N4O2.C16H11BrN4O.C6H10F3N.2CH4.H2/c1-14-20(27-18-5-3-2-4-17(18)21(14)32)22-28-19-7-6-15(13-31(19)29-22)12-30-10-8-16(9-11-30)23(24,25)26;1-10-15(18-13-5-3-2-4-12(13)16(10)23)17-19-14-7-6-11(9-22)8-21(14)20-17;1-9-14(18-12-5-3-2-4-11(12)15(9)22)16-19-13-7-6-10(17)8-21(13)20-16;7-6(8,9)5-1-3-10-4-2-5;;;/h2-7,13,16H,8-12H2,1H3,(H,27,32);2-9H,1H3,(H,18,23);2-8H,1H3,(H,18,22);5,10H,1-4H2;2*1H4;1H/i;;;;;;1+1
• InChIKey: YNXQGJUZYZITMA-KTTJZPQESA-N
• XLogP: 13.05
• TPSA: 221.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.22
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine?

The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine (CID 167702119) is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine.

What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine?

The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine is C.C.Cc1c(-c2nc3ccc(Br)cn3n2)[nH]c2ccccc2c1=O.Cc1c(-c2nc3ccc(C=O)cn3n2)[nH]c2ccccc2c1=O.Cc1c(-c2nc3ccc(CN4CCC(C(F)(F)F)CC4)cn3n2)[nH]c2ccccc2c1=O.FC(F)(F)C1CCNCC1.[H][2H].

What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine?

The InChIKey is YNXQGJUZYZITMA-KTTJZPQESA-N. The full InChI is InChI=1S/C23H22F3N5O.C17H12N4O2.C16H11BrN4O.C6H10F3N.2CH4.H2/c1-14-20(27-18-5-3-2-4-17(18)21(14)32)22-28-19-7-6-15(13-31(19)29-22)12-30-10-8-16(9-11-30)23(24,25)26;1-10-15(18-13-5-3-2-4-12(13)16(10)23)17-19-14-7-6-11(9-22)8-21(14)20-17;1-9-14(18-12-5-3-2-4-11(12)15(9)22)16-19-13-7-6-10(17)8-21(13)20-16;7-6(8,9)5-1-3-10-4-2-5;;;/h2-7,13,16H,8-12H2,1H3,(H,27,32);2-9H,1H3,(H,18,23);2-8H,1H3,(H,18,22);5,10H,1-4H2;2*1H4;1H/i;;;;;;1+1.

What are the key properties of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine?

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine has a molecular weight of 1289.22 g/mol, XLogP of 13.05, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;deuterium monohydride;methane;2-(3-methyl-4-oxo-1H-quinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde;3-methyl-2-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethyl)piperidine is sourced from PubChem (CID 167702119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167702119 — identifiers, structure, computed properties (public domain)

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