tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten

C77H79F3N35O6SW- — CID 161296148

About tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten

tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten (PubChem CID 161296148) has the molecular formula C77H79F3N35O6SW- and a molecular weight of 1863.62 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten.

Molecular Properties

• Compound Name: tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten
• PubChem CID: 161296148
• Molecular Formula: C77H79F3N35O6SW-
• Molecular Weight: 1863.62 g/mol
• Exact Mass: 1862.61
• IUPAC Name: tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten
• SMILES: Nc1nc2cccc(-c3cn[nH]c3)n2n1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CN(C(=O)OC(C)(C)C)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CN(C(=O)OC(C)(C)C)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CNC1.[CH3-].[W]
• InChI: InChI=1S/C19H22N8O2.C19H21N7O2.C15H12F3N7O2S.C14H13N7.C9H8N6.CH3.W/c1-18(2,3)29-17(28)25-11-19(12-25,10-21-4)26-9-13(8-22-26)14-6-5-7-15-23-16(20)24-27(14)15;1-18(2,3)28-17(27)24-11-19(12-24,10-20-4)25-9-14(8-22-25)15-6-5-7-16-21-13-23-26(15)16;1-19-7-14(8-23(9-14)28(26,27)15(16,17)18)24-6-11(5-21-24)12-3-2-4-13-20-10-22-25(12)13;1-15-7-14(8-16-9-14)20-6-11(5-18-20)12-3-2-4-13-17-10-19-21(12)13;10-9-13-8-3-1-2-7(15(8)14-9)6-4-11-12-5-6;;/h5-9H,10-12H2,1-3H3,(H2,20,24);5-9,13H,10-12H2,1-3H3;2-6,10H,7-9H2;2-6,10,16H,7-9H2;1-5H,(H2,10,14)(H,11,12);1H3;/q;;;;;-1
• InChIKey: QVSNJPVMZBNBSJ-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 428.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.62
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten?

The IUPAC name of tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten (CID 161296148) is tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten.

What is the SMILES notation for tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten?

The canonical SMILES for tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten is Nc1nc2cccc(-c3cn[nH]c3)n2n1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CN(C(=O)OC(C)(C)C)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CN(C(=O)OC(C)(C)C)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CNC1.[CH3-].[W].

What is the InChIKey of tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten?

The InChIKey is QVSNJPVMZBNBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2.C19H21N7O2.C15H12F3N7O2S.C14H13N7.C9H8N6.CH3.W/c1-18(2,3)29-17(28)25-11-19(12-25,10-21-4)26-9-13(8-22-26)14-6-5-7-15-23-16(20)24-27(14)15;1-18(2,3)28-17(27)24-11-19(12-24,10-20-4)25-9-14(8-22-25)15-6-5-7-16-21-13-23-26(15)16;1-19-7-14(8-23(9-14)28(26,27)15(16,17)18)24-6-11(5-21-24)12-3-2-4-13-20-10-22-25(12)13;1-15-7-14(8-16-9-14)20-6-11(5-18-20)12-3-2-4-13-17-10-19-21(12)13;10-9-13-8-3-1-2-7(15(8)14-9)6-4-11-12-5-6;;/h5-9H,10-12H2,1-3H3,(H2,20,24);5-9,13H,10-12H2,1-3H3;2-6,10H,7-9H2;2-6,10,16H,7-9H2;1-5H,(H2,10,14)(H,11,12);1H3;/q;;;;;-1;.

What are the key properties of tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten?

tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten has a molecular weight of 1863.62 g/mol, XLogP of 7.83, 14 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten is sourced from PubChem (CID 161296148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).