6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide

C124H80ClF20N43O2 — CID 160536544

About 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide

6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 160536544) has the molecular formula C124H80ClF20N43O2 and a molecular weight of 2619.72 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 160536544
• Molecular Formula: C124H80ClF20N43O2
• Molecular Weight: 2619.72 g/mol
• Exact Mass: 2617.68
• IUPAC Name: 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.Cc1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(Cl)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(F)c5)nn34)ccc2n1.[C-]#[N+]c1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1
• InChI: InChI=1S/C25H18F4N6O.C21H15F3N8O.C20H11F3N8.C20H14F3N7.C19H11ClF3N7.C19H11F4N7/c1-34-12-16-20(32-34)7-6-17(23(16)27)25(28,29)24-31-30-22-9-8-19(33-35(22)24)15-5-4-14(18(26)10-15)11-21(36)13-2-3-13;1-25-19(33)16-5-3-11(9-26-16)14-7-8-17-27-28-20(32(17)30-14)21(23,24)13-4-6-15-12(18(13)22)10-31(2)29-15;1-24-12-7-11(8-25-9-12)15-5-6-17-26-27-19(31(17)29-15)20(22,23)14-3-4-16-13(18(14)21)10-30(2)28-16;1-11-7-12(9-24-8-11)15-5-6-17-25-26-19(30(17)28-15)20(22,23)14-3-4-16-13(18(14)21)10-29(2)27-16;2*1-29-9-12-15(27-29)3-2-13(17(12)21)19(22,23)18-26-25-16-5-4-14(28-30(16)18)10-6-11(20)8-24-7-10/h4-10,12-13H,2-3,11H2,1H3;3-10H,1-2H3,(H,25,33);3-10H,2H3;3-10H,1-2H3;2*2-9H,1H3
• InChIKey: QWFQKAMXGPJQAM-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 480.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 22
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2619.72
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide (CID 160536544) is 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.Cc1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(Cl)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(F)c5)nn34)ccc2n1.[C-]#[N+]c1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.

What is the InChIKey of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is QWFQKAMXGPJQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6O.C21H15F3N8O.C20H11F3N8.C20H14F3N7.C19H11ClF3N7.C19H11F4N7/c1-34-12-16-20(32-34)7-6-17(23(16)27)25(28,29)24-31-30-22-9-8-19(33-35(22)24)15-5-4-14(18(26)10-15)11-21(36)13-2-3-13;1-25-19(33)16-5-3-11(9-26-16)14-7-8-17-27-28-20(32(17)30-14)21(23,24)13-4-6-15-12(18(13)22)10-31(2)29-15;1-24-12-7-11(8-25-9-12)15-5-6-17-26-27-19(31(17)29-15)20(22,23)14-3-4-16-13(18(14)21)10-30(2)28-16;1-11-7-12(9-24-8-11)15-5-6-17-25-26-19(30(17)28-15)20(22,23)14-3-4-16-13(18(14)21)10-29(2)27-16;2*1-29-9-12-15(27-29)3-2-13(17(12)21)19(22,23)18-26-25-16-5-4-14(28-30(16)18)10-6-11(20)8-24-7-10/h4-10,12-13H,2-3,11H2,1H3;3-10H,1-2H3,(H,25,33);3-10H,2H3;3-10H,1-2H3;2*2-9H,1H3.

What are the key properties of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide?

6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 2619.72 g/mol, XLogP of 22.39, 22 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 160536544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).