(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C122H103BrCl2F17N29O6 — CID 162053313

About (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 162053313) has the molecular formula C122H103BrCl2F17N29O6 and a molecular weight of 2545.14 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
• PubChem CID: 162053313
• Molecular Formula: C122H103BrCl2F17N29O6
• Molecular Weight: 2545.14 g/mol
• Exact Mass: 2541.69
• IUPAC Name: (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
• SMILES: Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3nnc4ccc(C#N)cn34)CC2)c1.Cc1ccc(C(F)(F)F)c(C2CCN(C(=O)c3nnc4ccc(C#N)cn34)CC2)c1.Cc1ccc(C2CCN(C(=O)c3nnc4ccc(C#N)cn34)CC2)c(C(F)(F)F)c1.N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(Cl)c4C(F)(F)F)CC3)n2c1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1.[H]/N=C(/C(=O)N1CCC(c2cc(C)ccc2C(F)(F)F)CC1)n1cc(C#N)cc/c1=N\[H]
• InChI: InChI=1S/C21H17F4N5O.2C21H18F3N5O.C21H20F3N5O.C20H15ClF3N5O.C18H15BrClFN4O/c1-12-8-15(18(16(22)9-12)21(23,24)25)14-4-6-29(7-5-14)20(31)19-28-27-17-3-2-13(10-26)11-30(17)19;1-13-2-4-17(21(22,23)24)16(10-13)15-6-8-28(9-7-15)20(30)19-27-26-18-5-3-14(11-25)12-29(18)19;1-13-2-4-16(17(10-13)21(22,23)24)15-6-8-28(9-7-15)20(30)19-27-26-18-5-3-14(11-25)12-29(18)19;1-13-2-4-17(21(22,23)24)16(10-13)15-6-8-28(9-7-15)20(30)19(27)29-12-14(11-25)3-5-18(29)26;21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18;19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20/h2-3,8-9,11,14H,4-7H2,1H3;2*2-5,10,12,15H,6-9H2,1H3;2-5,10,12,15,26-27H,6-9H2,1H3;1-5,11,13H,6-9H2;1-5,10-11H,6-9H2/b;;;26-18+,27-19-
• InChIKey: YYVKCGIPDLONEU-RXLXLJEGSA-N
• XLogP: 23.98
• TPSA: 444.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2545.14
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 162053313) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3nnc4ccc(C#N)cn34)CC2)c1.Cc1ccc(C(F)(F)F)c(C2CCN(C(=O)c3nnc4ccc(C#N)cn34)CC2)c1.Cc1ccc(C2CCN(C(=O)c3nnc4ccc(C#N)cn34)CC2)c(C(F)(F)F)c1.N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(Cl)c4C(F)(F)F)CC3)n2c1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1.[H]/N=C(/C(=O)N1CCC(c2cc(C)ccc2C(F)(F)F)CC1)n1cc(C#N)cc/c1=N\[H].

What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The InChIKey is YYVKCGIPDLONEU-RXLXLJEGSA-N. The full InChI is InChI=1S/C21H17F4N5O.2C21H18F3N5O.C21H20F3N5O.C20H15ClF3N5O.C18H15BrClFN4O/c1-12-8-15(18(16(22)9-12)21(23,24)25)14-4-6-29(7-5-14)20(31)19-28-27-17-3-2-13(10-26)11-30(17)19;1-13-2-4-17(21(22,23)24)16(10-13)15-6-8-28(9-7-15)20(30)19-27-26-18-5-3-14(11-25)12-29(18)19;1-13-2-4-16(17(10-13)21(22,23)24)15-6-8-28(9-7-15)20(30)19-27-26-18-5-3-14(11-25)12-29(18)19;1-13-2-4-17(21(22,23)24)16(10-13)15-6-8-28(9-7-15)20(30)19(27)29-12-14(11-25)3-5-18(29)26;21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18;19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20/h2-3,8-9,11,14H,4-7H2,1H3;2*2-5,10,12,15H,6-9H2,1H3;2-5,10,12,15,26-27H,6-9H2,1H3;1-5,11,13H,6-9H2;1-5,10-11H,6-9H2/b;;;26-18+,27-19-;;.

What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 2545.14 g/mol, XLogP of 23.98, 11 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;6-imino-1-[2-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethanimidoyl]pyridine-3-carbonitrile;3-[4-[4-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 162053313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).