3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide

C123H90F20N46O5S — CID 159088006

About 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide

3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide (PubChem CID 159088006) has the molecular formula C123H90F20N46O5S and a molecular weight of 2704.42 g/mol. Its IUPAC name is 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide
• PubChem CID: 159088006
• Molecular Formula: C123H90F20N46O5S
• Molecular Weight: 2704.42 g/mol
• Exact Mass: 2702.76
• IUPAC Name: 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide
• SMILES: CC(C)n1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(S(N)(=O)=O)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cnn(CC6COCO6)c5)nn34)ccc2n1.[C-]#[N+]c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1
• InChI: InChI=1S/C22H15F4N7O.C21H17F3N8O2.C20H13F4N7O2S.C20H17F3N8.C20H11F3N8.C20H17F3N8/c1-27-20(34)11-3-4-13(15(23)8-11)17-5-6-19-28-29-21(33(19)31-17)22(25,26)14-7-12-10-32(2)30-18(12)9-16(14)24;1-30-9-14-17(28-30)3-2-15(19(14)22)21(23,24)20-27-26-18-5-4-16(29-32(18)20)12-6-25-31(7-12)8-13-10-33-11-34-13;1-30-9-11-15(28-30)4-3-12(18(11)22)20(23,24)19-27-26-17-7-5-14(29-31(17)19)10-2-6-16(13(21)8-10)34(25,32)33;1-11(2)30-9-12(8-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)10-29(3)27-16;1-24-16-7-3-11(9-25-16)14-6-8-17-26-27-19(31(17)29-14)20(22,23)13-4-5-15-12(18(13)21)10-30(2)28-15;1-3-8-30-10-12(9-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)11-29(2)27-16/h3-10H,1-2H3,(H,27,34);2-7,9,13H,8,10-11H2,1H3;2-9H,1H3,(H2,25,32,33);4-11H,1-3H3;3-10H,2H3;4-7,9-11H,3,8H2,1-2H3
• InChIKey: KBRQUFGJYVQWFW-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 543.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 48
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2704.42
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide?

The IUPAC name of 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide (CID 159088006) is 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide.

What is the SMILES notation for 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide?

The canonical SMILES for 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide is CC(C)n1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(S(N)(=O)=O)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cnn(CC6COCO6)c5)nn34)ccc2n1.[C-]#[N+]c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.

What is the InChIKey of 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide?

The InChIKey is KBRQUFGJYVQWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N7O.C21H17F3N8O2.C20H13F4N7O2S.C20H17F3N8.C20H11F3N8.C20H17F3N8/c1-27-20(34)11-3-4-13(15(23)8-11)17-5-6-19-28-29-21(33(19)31-17)22(25,26)14-7-12-10-32(2)30-18(12)9-16(14)24;1-30-9-14-17(28-30)3-2-15(19(14)22)21(23,24)20-27-26-18-5-4-16(29-32(18)20)12-6-25-31(7-12)8-13-10-33-11-34-13;1-30-9-11-15(28-30)4-3-12(18(11)22)20(23,24)19-27-26-17-7-5-14(29-31(17)19)10-2-6-16(13(21)8-10)34(25,32)33;1-11(2)30-9-12(8-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)10-29(3)27-16;1-24-16-7-3-11(9-25-16)14-6-8-17-26-27-19(31(17)29-14)20(22,23)13-4-5-15-12(18(13)21)10-30(2)28-15;1-3-8-30-10-12(9-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)11-29(2)27-16/h3-10H,1-2H3,(H,27,34);2-7,9,13H,8,10-11H2,1H3;2-9H,1H3,(H2,25,32,33);4-11H,1-3H3;3-10H,2H3;4-7,9-11H,3,8H2,1-2H3.

What are the key properties of 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide?

3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide has a molecular weight of 2704.42 g/mol, XLogP of 19.93, 25 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzenesulfonamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 159088006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).