2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten

C75H70BBr2F18N32O14S2W- — CID 162237759

About 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten

2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten (PubChem CID 162237759) has the molecular formula C75H70BBr2F18N32O14S2W- and a molecular weight of 2404.15 g/mol. Its IUPAC name is 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten.

Molecular Properties

• Compound Name: 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten
• PubChem CID: 162237759
• Molecular Formula: C75H70BBr2F18N32O14S2W-
• Molecular Weight: 2404.15 g/mol
• Exact Mass: 2401.29
• IUPAC Name: 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccn4nc(N)nc34)cn2)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccn4nc(NC(=O)C(F)(F)F)nc34)cn2)C1.Nc1nc2c(-c3cn[nH]c3)cccn2n1.Nc1nc2c(Br)cccn2n1.O=C(Nc1nc2c(Br)cccn2n1)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.[CH3-].[W]
• InChI: InChI=1S/C18H17F3N8O3S.C16H18N8O2S.C9H15BN2O2.C9H8N6.C8H4BrF3N4O.C6H5BrN4.2C4F6O3.CH3.W/c1-2-33(31,32)27-10-17(11-27,5-6-22)29-9-12(8-23-29)13-4-3-7-28-14(13)24-16(26-28)25-15(30)18(19,20)21;1-2-27(25,26)22-10-16(11-22,5-6-17)24-9-12(8-19-24)13-4-3-7-23-14(13)20-15(18)21-23;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;10-9-13-8-7(6-4-11-12-5-6)2-1-3-15(8)14-9;9-4-2-1-3-16-5(4)13-7(15-16)14-6(17)8(10,11)12;7-4-2-1-3-11-5(4)9-6(8)10-11;2*5-3(6,7)1(11)13-2(12)4(8,9)10;;/h3-4,7-9H,2,5,10-11H2,1H3,(H,25,26,30);3-4,7-9H,2,5,10-11H2,1H3,(H2,18,21);5-6H,1-4H3,(H,11,12);1-5H,(H2,10,14)(H,11,12);1-3H,(H,14,15,17);1-3H,(H2,8,10);;;1H3;/q;;;;;;;;-1
• InChIKey: AVHPQXXLLHXDMJ-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 607.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2404.15
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten?

The IUPAC name of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten (CID 162237759) is 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten.

What is the SMILES notation for 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten?

The canonical SMILES for 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten is CC1(C)OB(c2cn[nH]c2)OC1(C)C.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccn4nc(N)nc34)cn2)C1.CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccn4nc(NC(=O)C(F)(F)F)nc34)cn2)C1.Nc1nc2c(-c3cn[nH]c3)cccn2n1.Nc1nc2c(Br)cccn2n1.O=C(Nc1nc2c(Br)cccn2n1)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.[CH3-].[W].

What is the InChIKey of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten?

The InChIKey is AVHPQXXLLHXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O3S.C16H18N8O2S.C9H15BN2O2.C9H8N6.C8H4BrF3N4O.C6H5BrN4.2C4F6O3.CH3.W/c1-2-33(31,32)27-10-17(11-27,5-6-22)29-9-12(8-23-29)13-4-3-7-28-14(13)24-16(26-28)25-15(30)18(19,20)21;1-2-27(25,26)22-10-16(11-22,5-6-17)24-9-12(8-19-24)13-4-3-7-23-14(13)20-15(18)21-23;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;10-9-13-8-7(6-4-11-12-5-6)2-1-3-15(8)14-9;9-4-2-1-3-16-5(4)13-7(15-16)14-6(17)8(10,11)12;7-4-2-1-3-11-5(4)9-6(8)10-11;2*5-3(6,7)1(11)13-2(12)4(8,9)10;;/h3-4,7-9H,2,5,10-11H2,1H3,(H,25,26,30);3-4,7-9H,2,5,10-11H2,1H3,(H2,18,21);5-6H,1-4H3,(H,11,12);1-5H,(H2,10,14)(H,11,12);1-3H,(H,14,15,17);1-3H,(H2,8,10);;;1H3;/q;;;;;;;;-1;.

What are the key properties of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten?

2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten has a molecular weight of 2404.15 g/mol, XLogP of 9.10, 14 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;carbanide;N-[8-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;bis((2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate);tungsten is sourced from PubChem (CID 162237759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).