2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride

C82H82BrClF9N15O6 — CID 167608884

About 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride (PubChem CID 167608884) has the molecular formula C82H82BrClF9N15O6 and a molecular weight of 1660.00 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride.

Molecular Properties

• Compound Name: 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride
• PubChem CID: 167608884
• Molecular Formula: C82H82BrClF9N15O6
• Molecular Weight: 1660.00 g/mol
• Exact Mass: 1657.53
• IUPAC Name: 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride
• SMILES: C.C.Cc1c(-c2nc3ccc(Br)cn3n2)nc2ccccc2c1OCc1ccccc1.Cc1c(-c2nc3ccc(N4CCC(OC(F)(F)F)CC4)cn3n2)[nH]c2ccccc2c1=O.Cc1c(-c2nc3ccc(N4CCC(OC(F)(F)F)CC4)cn3n2)nc2ccccc2c1OCc1ccccc1.Cl.FC(F)(F)OC1CCNCC1
• InChI: InChI=1S/C29H26F3N5O2.C23H17BrN4O.C22H20F3N5O2.C6H10F3NO.2CH4.ClH/c1-19-26(33-24-10-6-5-9-23(24)27(19)38-18-20-7-3-2-4-8-20)28-34-25-12-11-21(17-37(25)35-28)36-15-13-22(14-16-36)39-29(30,31)32;1-15-21(23-26-20-12-11-17(24)13-28(20)27-23)25-19-10-6-5-9-18(19)22(15)29-14-16-7-3-2-4-8-16;1-13-19(26-17-5-3-2-4-16(17)20(13)31)21-27-18-7-6-14(12-30(18)28-21)29-10-8-15(9-11-29)32-22(23,24)25;7-6(8,9)11-5-1-3-10-4-2-5;;;/h2-12,17,22H,13-16,18H2,1H3;2-13H,14H2,1H3;2-7,12,15H,8-11H2,1H3,(H,26,31);5,10H,1-4H2;2*1H4;1H
• InChIKey: JSRWOJNVNZBJBP-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 213.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.00
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride?

The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride (CID 167608884) is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride.

What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride?

The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride is C.C.Cc1c(-c2nc3ccc(Br)cn3n2)nc2ccccc2c1OCc1ccccc1.Cc1c(-c2nc3ccc(N4CCC(OC(F)(F)F)CC4)cn3n2)[nH]c2ccccc2c1=O.Cc1c(-c2nc3ccc(N4CCC(OC(F)(F)F)CC4)cn3n2)nc2ccccc2c1OCc1ccccc1.Cl.FC(F)(F)OC1CCNCC1.

What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride?

The InChIKey is JSRWOJNVNZBJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O2.C23H17BrN4O.C22H20F3N5O2.C6H10F3NO.2CH4.ClH/c1-19-26(33-24-10-6-5-9-23(24)27(19)38-18-20-7-3-2-4-8-20)28-34-25-12-11-21(17-37(25)35-28)36-15-13-22(14-16-36)39-29(30,31)32;1-15-21(23-26-20-12-11-17(24)13-28(20)27-23)25-19-10-6-5-9-18(19)22(15)29-14-16-7-3-2-4-8-16;1-13-19(26-17-5-3-2-4-16(17)20(13)31)21-27-18-7-6-14(12-30(18)28-21)29-10-8-15(9-11-29)32-22(23,24)25;7-6(8,9)11-5-1-3-10-4-2-5;;;/h2-12,17,22H,13-16,18H2,1H3;2-13H,14H2,1H3;2-7,12,15H,8-11H2,1H3,(H,26,31);5,10H,1-4H2;2*1H4;1H.

What are the key properties of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride?

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride has a molecular weight of 1660.00 g/mol, XLogP of 18.95, 14 rotatable bonds, 2 hydrogen bond donors, and 20 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-4-phenylmethoxyquinoline;methane;3-methyl-4-phenylmethoxy-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;4-(trifluoromethoxy)piperidine;hydrochloride is sourced from PubChem (CID 167608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).