carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten

C48H52Cl2F6N24O8S4W2-2 — CID 159766450

About carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten

carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten (PubChem CID 159766450) has the molecular formula C48H52Cl2F6N24O8S4W2-2 and a molecular weight of 1773.95 g/mol. Its IUPAC name is carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten.

Molecular Properties

• Compound Name: carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten
• PubChem CID: 159766450
• Molecular Formula: C48H52Cl2F6N24O8S4W2-2
• Molecular Weight: 1773.95 g/mol
• Exact Mass: 1772.16
• IUPAC Name: carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten
• SMILES: CS(=O)(=O)Cl.O=S(=O)(Cl)C(F)(F)F.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CN(S(C)(=O)=O)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CNC1.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/C15H13F3N8O2S.C15H16N8O2S.C14H14N8.CClF3O2S.CH3ClO2S.2CH3.2W/c1-20-7-14(8-24(9-14)29(27,28)15(16,17)18)25-6-10(5-21-25)11-3-2-4-12-22-13(19)23-26(11)12;1-17-8-15(9-21(10-15)26(2,24)25)22-7-11(6-18-22)12-4-3-5-13-19-14(16)20-23(12)13;1-16-7-14(8-17-9-14)21-6-10(5-18-21)11-3-2-4-12-19-13(15)20-22(11)12;2-8(6,7)1(3,4)5;1-5(2,3)4;;;;/h2-6H,7-9H2,(H2,19,23);3-7H,8-10H2,2H3,(H2,16,20);2-6,17H,7-9H2,(H2,15,20);;1H3;2*1H3;;/q;;;;;2*-1
• InChIKey: YGLVJHYIJVYBDB-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 390.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1773.95
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten?

The IUPAC name of carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten (CID 159766450) is carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten.

What is the SMILES notation for carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten?

The canonical SMILES for carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten is CS(=O)(=O)Cl.O=S(=O)(Cl)C(F)(F)F.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CN(S(C)(=O)=O)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(N)nn34)cn2)CNC1.[CH3-].[CH3-].[W].[W].

What is the InChIKey of carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten?

The InChIKey is YGLVJHYIJVYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N8O2S.C15H16N8O2S.C14H14N8.CClF3O2S.CH3ClO2S.2CH3.2W/c1-20-7-14(8-24(9-14)29(27,28)15(16,17)18)25-6-10(5-21-25)11-3-2-4-12-22-13(19)23-26(11)12;1-17-8-15(9-21(10-15)26(2,24)25)22-7-11(6-18-22)12-4-3-5-13-19-14(16)20-23(12)13;1-16-7-14(8-17-9-14)21-6-10(5-18-21)11-3-2-4-12-19-13(15)20-22(11)12;2-8(6,7)1(3,4)5;1-5(2,3)4;;;;/h2-6H,7-9H2,(H2,19,23);3-7H,8-10H2,2H3,(H2,16,20);2-6,17H,7-9H2,(H2,15,20);;1H3;2*1H3;;/q;;;;;2*-1;;.

What are the key properties of carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten?

carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten has a molecular weight of 1773.95 g/mol, XLogP of 3.57, 11 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methanesulfonyl chloride;trifluoromethanesulfonyl chloride;tungsten is sourced from PubChem (CID 159766450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).