2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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

C54H59BrF2N14O6W2-2 — CID 157151724

About 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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

2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 157151724) has the molecular formula C54H59BrF2N14O6W2-2 and a molecular weight of 1485.74 g/mol. Its IUPAC name is 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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: 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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: 157151724
• Molecular Formula: C54H59BrF2N14O6W2-2
• Molecular Weight: 1485.74 g/mol
• Exact Mass: 1484.29
• IUPAC Name: 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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: O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(O)cc1F.O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCCO)cc1F.OCCBr.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/C26H26FN7O3.C24H22FN7O2.C2H5BrO.2CH3.2W/c27-18-13-22(37-11-10-35)21(33-14-20(28-15-33)16-7-8-16)12-17(18)26(36)30-23-5-3-4-19(29-23)25-32-31-24-6-1-2-9-34(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;;;;/h3-5,12-16,35H,1-2,6-11H2,(H,29,30,36);3-5,10-14,33H,1-2,6-9H2,(H,27,28,34);4H,1-2H2;2*1H3;;/q;;;2*-1
• InChIKey: OMGORYDNOBZKEV-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 250.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.74
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 157151724) is 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(O)cc1F.O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCCO)cc1F.OCCBr.[CH3-].[CH3-].[W].[W].

What is the InChIKey of 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 OMGORYDNOBZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3.C24H22FN7O2.C2H5BrO.2CH3.2W/c27-18-13-22(37-11-10-35)21(33-14-20(28-15-33)16-7-8-16)12-17(18)26(36)30-23-5-3-4-19(29-23)25-32-31-24-6-1-2-9-34(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;;;;/h3-5,12-16,35H,1-2,6-11H2,(H,29,30,36);3-5,10-14,33H,1-2,6-9H2,(H,27,28,34);4H,1-2H2;2*1H3;;/q;;;2*-1;;.

What are the key properties of 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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?

2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 1485.74 g/mol, XLogP of 8.61, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoethanol;carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(2-hydroxyethoxy)-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 157151724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).