carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten

C49H49F2N14O3W- — CID 157409593

About carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten

carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten (PubChem CID 157409593) has the molecular formula C49H49F2N14O3W- and a molecular weight of 1103.86 g/mol. Its IUPAC name is carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten.

Molecular Properties

• Compound Name: carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten
• PubChem CID: 157409593
• Molecular Formula: C49H49F2N14O3W-
• Molecular Weight: 1103.86 g/mol
• Exact Mass: 1103.36
• IUPAC Name: carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Nc1cccc(-c2nnc3n2CCC3)n1.[CH3-].[W]
• InChI: InChI=1S/C24H22FN7O.C14H13FN2O2.C10H11N5.CH3.W/c1-14-10-17(25)16(11-20(14)31-12-19(26-13-31)15-7-8-15)24(33)28-21-5-2-4-18(27-21)23-30-29-22-6-3-9-32(22)23;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;11-8-4-1-3-7(12-8)10-14-13-9-5-2-6-15(9)10;;/h2,4-5,10-13,15H,3,6-9H2,1H3,(H,27,28,33);4-7,9H,2-3H2,1H3,(H,18,19);1,3-4H,2,5-6H2,(H2,11,12);1H3;/q;;;-1
• InChIKey: GELAKWBNYHZTQB-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 215.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.86
LogP ≤ 5	8.26
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)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten?

The IUPAC name of carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten (CID 157409593) is carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten.

What is the SMILES notation for carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten?

The canonical SMILES for carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCC4)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Nc1cccc(-c2nnc3n2CCC3)n1.[CH3-].[W].

What is the InChIKey of carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten?

The InChIKey is GELAKWBNYHZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O.C14H13FN2O2.C10H11N5.CH3.W/c1-14-10-17(25)16(11-20(14)31-12-19(26-13-31)15-7-8-15)24(33)28-21-5-2-4-18(27-21)23-30-29-22-6-3-9-32(22)23;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;11-8-4-1-3-7(12-8)10-14-13-9-5-2-6-15(9)10;;/h2,4-5,10-13,15H,3,6-9H2,1H3,(H,27,28,33);4-7,9H,2-3H2,1H3,(H,18,19);1,3-4H,2,5-6H2,(H2,11,12);1H3;/q;;;-1;.

What are the key properties of carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten?

carbanide;5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten has a molecular weight of 1103.86 g/mol, XLogP of 8.26, 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)-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine;tungsten is sourced from PubChem (CID 157409593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).