6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide

C125H94F20N46O6S — CID 158282479

IUPAC6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCCCn1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cn1.CNS(=O)(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cc(F)c6c(c5)CNC6=O)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CCOC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(CC6COCO6)c5)nn34)c(F)cc2n1
InChIInChI=1S/C22H13F4N7O.C21H15F4N7O2S.C21H17F3N8O2.C21H17F3N8O.C20H15F3N8.C20H17F3N8/c1-32-9-12-5-13(14(23)7-17(12)30-32)22(25,26)21-29-28-18-3-2-16(31-33(18)21)10-4-11-8-27-20(34)19(11)15(24)6-10;1-26-35(33,34)18-5-3-11(8-15(18)23)16-4-6-19-27-28-20(32(19)30-16)21(24,25)13-7-12-10-31(2)29-17(12)9-14(13)22;1-30-7-12-4-15(16(22)5-18(12)28-30)21(23,24)20-27-26-19-3-2-17(29-32(19)20)13-6-25-31(8-13)9-14-10-33-11-34-14;1-30-9-12-6-15(16(22)7-18(12)28-30)21(23,24)20-27-26-19-3-2-17(29-32(19)20)13-8-25-31(10-13)14-4-5-33-11-14;1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13;1-3-6-30-11-13(9-24-30)16-4-5-18-25-26-19(31(18)28-16)20(22,23)14-7-12-10-29(2)27-17(12)8-15(14)21/h2-7,9H,8H2,1H3,(H,27,34);3-10,26H,1-2H3;2-8,14H,9-11H2,1H3;2-3,6-10,14H,4-5,11H2,1H3;4-10,13H,2-3H2,1H3;4-5,7-11H,3,6H2,1-2H3
InChIKeyGKJKYNLVALJRGK-UHFFFAOYSA-N
MW2748.47 g/mol
LogP19.04
Rot. Bonds26

About 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide

6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 158282479) has the molecular formula C125H94F20N46O6S and a molecular weight of 2748.47 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID158282479
Molecular FormulaC125H94F20N46O6S
Molecular Weight2748.47 g/mol
Exact Mass2746.79
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCCCn1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cn1.CNS(=O)(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cc(F)c6c(c5)CNC6=O)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CCOC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(CC6COCO6)c5)nn34)c(F)cc2n1
InChIInChI=1S/C22H13F4N7O.C21H15F4N7O2S.C21H17F3N8O2.C21H17F3N8O.C20H15F3N8.C20H17F3N8/c1-32-9-12-5-13(14(23)7-17(12)30-32)22(25,26)21-29-28-18-3-2-16(31-33(18)21)10-4-11-8-27-20(34)19(11)15(24)6-10;1-26-35(33,34)18-5-3-11(8-15(18)23)16-4-6-19-27-28-20(32(19)30-16)21(24,25)13-7-12-10-31(2)29-17(12)9-14(13)22;1-30-7-12-4-15(16(22)5-18(12)28-30)21(23,24)20-27-26-19-3-2-17(29-32(19)20)13-6-25-31(8-13)9-14-10-33-11-34-14;1-30-9-12-6-15(16(22)7-18(12)28-30)21(23,24)20-27-26-19-3-2-17(29-32(19)20)13-8-25-31(10-13)14-4-5-33-11-14;1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13;1-3-6-30-11-13(9-24-30)16-4-5-18-25-26-19(31(18)28-16)20(22,23)14-7-12-10-29(2)27-17(12)8-15(14)21/h2-7,9H,8H2,1H3,(H,27,34);3-10,26H,1-2H3;2-8,14H,9-11H2,1H3;2-3,6-10,14H,4-5,11H2,1H3;4-10,13H,2-3H2,1H3;4-5,7-11H,3,6H2,1-2H3
InChIKeyGKJKYNLVALJRGK-UHFFFAOYSA-N
XLogP19.04
TPSA539.64 Ų
H-Bond Donors2
H-Bond Acceptors50
Rotatable Bonds26
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002748.47
LogP ≤ 519.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1050

Analyze 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-difluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethyl-2-fluorobenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N,N-dimethylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-propan-2-ylbenzamide
CID 157656021
CID 157750692
CID 157750692
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
1-cyclopropyl-2-[4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-difluoro-N-methylbenzamide;[4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;[4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]-pyrrolidin-1-ylmethanone;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
CID 161582978
N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethyl-2-fluorobenzamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N,N-dimethylbenzamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-propan-2-ylbenzamide;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-fluoro-N-propan-2-ylbenzamide
CID 162240011
CID 167662531
CID 167662531
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide;oxolane
CID 167706723
N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine
CID 158364300
N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(isocyanomethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]sulfonylmorpholine
CID 161168911

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide (CID 158282479) is 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide is CCCn1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cn1.CNS(=O)(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cc(F)c6c(c5)CNC6=O)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CCOC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(CC6COCO6)c5)nn34)c(F)cc2n1.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GKJKYNLVALJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N7O.C21H15F4N7O2S.C21H17F3N8O2.C21H17F3N8O.C20H15F3N8.C20H17F3N8/c1-32-9-12-5-13(14(23)7-17(12)30-32)22(25,26)21-29-28-18-3-2-16(31-33(18)21)10-4-11-8-27-20(34)19(11)15(24)6-10;1-26-35(33,34)18-5-3-11(8-15(18)23)16-4-6-19-27-28-20(32(19)30-16)21(24,25)13-7-12-10-31(2)29-17(12)9-14(13)22;1-30-7-12-4-15(16(22)5-18(12)28-30)21(23,24)20-27-26-19-3-2-17(29-32(19)20)13-6-25-31(8-13)9-14-10-33-11-34-14;1-30-9-12-6-15(16(22)7-18(12)28-30)21(23,24)20-27-26-19-3-2-17(29-32(19)20)13-8-25-31(10-13)14-4-5-33-11-14;1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13;1-3-6-30-11-13(9-24-30)16-4-5-18-25-26-19(31(18)28-16)20(22,23)14-7-12-10-29(2)27-17(12)8-15(14)21/h2-7,9H,8H2,1H3,(H,27,34);3-10,26H,1-2H3;2-8,14H,9-11H2,1H3;2-3,6-10,14H,4-5,11H2,1H3;4-10,13H,2-3H2,1H3;4-5,7-11H,3,6H2,1-2H3.
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide?
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 2748.47 g/mol, XLogP of 19.04, 26 rotatable bonds, 2 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-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-(6-fluoro-2-methylindazol-5-yl)methyl]-6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-7-fluoro-2,3-dihydroisoindol-1-one;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 158282479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).