carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten

C51H53F2N14O3W- — CID 159125851

About carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten

carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten (PubChem CID 159125851) has the molecular formula C51H53F2N14O3W- and a molecular weight of 1131.92 g/mol. Its IUPAC name is carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten.

Molecular Properties

• Compound Name: carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten
• PubChem CID: 159125851
• Molecular Formula: C51H53F2N14O3W-
• Molecular Weight: 1131.92 g/mol
• Exact Mass: 1131.39
• IUPAC Name: carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Nc1cccc(-c2nnc3n2CCCC3)n1.[CH3-].[W]
• InChI: InChI=1S/C25H24FN7O.C14H13FN2O2.C11H13N5.CH3.W/c1-15-11-18(26)17(12-21(15)32-13-20(27-14-32)16-8-9-16)25(34)29-22-6-4-5-19(28-22)24-31-30-23-7-2-3-10-33(23)24;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;12-9-5-3-4-8(13-9)11-15-14-10-6-1-2-7-16(10)11;;/h4-6,11-14,16H,2-3,7-10H2,1H3,(H,28,29,34);4-7,9H,2-3H2,1H3,(H,18,19);3-5H,1-2,6-7H2,(H2,12,13);1H3;/q;;;-1
• InChIKey: HSKKBRNRUIDNRF-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 215.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.92
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten (CID 159125851) is carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten.

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

The canonical SMILES for carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Nc1cccc(-c2nnc3n2CCCC3)n1.[CH3-].[W].

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

The InChIKey is HSKKBRNRUIDNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O.C14H13FN2O2.C11H13N5.CH3.W/c1-15-11-18(26)17(12-21(15)32-13-20(27-14-32)16-8-9-16)25(34)29-22-6-4-5-19(28-22)24-31-30-23-7-2-3-10-33(23)24;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;12-9-5-3-4-8(13-9)11-15-14-10-6-1-2-7-16(10)11;;/h4-6,11-14,16H,2-3,7-10H2,1H3,(H,28,29,34);4-7,9H,2-3H2,1H3,(H,18,19);3-5H,1-2,6-7H2,(H2,12,13);1H3;/q;;;-1;.

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

carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten has a molecular weight of 1131.92 g/mol, XLogP of 9.04, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine;tungsten is sourced from PubChem (CID 159125851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).