1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten

C54H57BrF4N14O4W2-2 — CID 157428194

About 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten

1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten (PubChem CID 157428194) has the molecular formula C54H57BrF4N14O4W2-2 and a molecular weight of 1489.72 g/mol. Its IUPAC name is 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten.

Molecular Properties

• Compound Name: 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten
• PubChem CID: 157428194
• Molecular Formula: C54H57BrF4N14O4W2-2
• Molecular Weight: 1489.72 g/mol
• Exact Mass: 1488.28
• IUPAC Name: 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten
• SMILES: FCCBr.O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(O)cc1F.O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCCF)cc1F.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/C26H25F2N7O2.C24H22FN7O2.C2H4BrF.2CH3.2W/c27-9-11-37-22-13-18(28)17(12-21(22)34-14-20(29-15-34)16-7-8-16)26(36)31-23-5-3-4-19(30-23)25-33-32-24-6-1-2-10-35(24)25;25-16-11-20(33)19(31-12-18(26-13-31)14-7-8-14)10-15(16)24(34)28-21-5-3-4-17(27-21)23-30-29-22-6-1-2-9-32(22)23;3-1-2-4;;;;/h3-5,12-16H,1-2,6-11H2,(H,30,31,36);3-5,10-14,33H,1-2,6-9H2,(H,27,28,34);1-2H2;2*1H3;;/q;;;2*-1
• InChIKey: LOCIZNJLJQQDMW-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 210.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1489.72
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten?

The IUPAC name of 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten (CID 157428194) is 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten.

What is the SMILES notation for 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten?

The canonical SMILES for 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten is FCCBr.O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(O)cc1F.O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCCF)cc1F.[CH3-].[CH3-].[W].[W].

What is the InChIKey of 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten?

The InChIKey is LOCIZNJLJQQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O2.C24H22FN7O2.C2H4BrF.2CH3.2W/c27-9-11-37-22-13-18(28)17(12-21(22)34-14-20(29-15-34)16-7-8-16)26(36)31-23-5-3-4-19(30-23)25-33-32-24-6-1-2-10-35(24)25;25-16-11-20(33)19(31-12-18(26-13-31)14-7-8-14)10-15(16)24(34)28-21-5-3-4-17(27-21)23-30-29-22-6-1-2-9-32(22)23;3-1-2-4;;;;/h3-5,12-16H,1-2,6-11H2,(H,30,31,36);3-5,10-14,33H,1-2,6-9H2,(H,27,28,34);1-2H2;2*1H3;;/q;;;2*-1;;.

What are the key properties of 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten?

1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten has a molecular weight of 1489.72 g/mol, XLogP of 10.56, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-fluoroethane;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-fluoroethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-hydroxy-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;tungsten is sourced from PubChem (CID 157428194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).