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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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

C175H130F30N58O9S — CID 167662531

IUPAC3-[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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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
SMILESCC(C)NC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.CCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CCNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CN(C)C(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.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
InChIInChI=1S/C24H19F4N7O.2C23H17F4N7O.2C22H15F4N7O.C21H17F3N8O2.C20H13F4N7O2S.C20H17F3N8/c1-12(2)29-22(36)13-4-5-15(17(25)9-13)19-6-7-21-30-31-23(35(21)33-19)24(27,28)16-8-14-11-34(3)32-20(14)10-18(16)26;1-32(2)21(35)14-5-4-12(9-16(14)24)18-6-7-20-28-29-22(34(20)31-18)23(26,27)15-8-13-11-33(3)30-19(13)10-17(15)25;1-3-28-21(35)14-5-4-12(9-16(14)24)18-6-7-20-29-30-22(34(20)32-18)23(26,27)15-8-13-11-33(2)31-19(13)10-17(15)25;1-27-20(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;1-27-20(34)13-4-3-11(8-15(13)23)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;1-3-8-30-10-12(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/h4-12H,1-3H3,(H,29,36);4-11H,1-3H3;4-11H,3H2,1-2H3,(H,28,35);2*3-10H,1-2H3,(H,27,34);2-7,9,13H,8,10-11H2,1H3;2-9H,1H3,(H2,25,32,33);4-7,9-11H,3,8H2,1-2H3
InChIKeySDQAZJRQKSHDMO-UHFFFAOYSA-N
MW3791.37 g/mol
LogP27.62
Rot. Bonds36

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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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

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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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 (PubChem CID 167662531) has the molecular formula C175H130F30N58O9S and a molecular weight of 3791.37 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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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.

Molecular Properties

Compound Name3-[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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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
PubChem CID167662531
Molecular FormulaC175H130F30N58O9S
Molecular Weight3791.37 g/mol
Exact Mass3789.07
IUPAC Name3-[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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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
SMILESCC(C)NC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.CCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CCNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CN(C)C(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.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
InChIInChI=1S/C24H19F4N7O.2C23H17F4N7O.2C22H15F4N7O.C21H17F3N8O2.C20H13F4N7O2S.C20H17F3N8/c1-12(2)29-22(36)13-4-5-15(17(25)9-13)19-6-7-21-30-31-23(35(21)33-19)24(27,28)16-8-14-11-34(3)32-20(14)10-18(16)26;1-32(2)21(35)14-5-4-12(9-16(14)24)18-6-7-20-28-29-22(34(20)31-18)23(26,27)15-8-13-11-33(3)30-19(13)10-17(15)25;1-3-28-21(35)14-5-4-12(9-16(14)24)18-6-7-20-29-30-22(34(20)32-18)23(26,27)15-8-13-11-33(2)31-19(13)10-17(15)25;1-27-20(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;1-27-20(34)13-4-3-11(8-15(13)23)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;1-3-8-30-10-12(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/h4-12H,1-3H3,(H,29,36);4-11H,1-3H3;4-11H,3H2,1-2H3,(H,28,35);2*3-10H,1-2H3,(H,27,34);2-7,9,13H,8,10-11H2,1H3;2-9H,1H3,(H2,25,32,33);4-7,9-11H,3,8H2,1-2H3
InChIKeySDQAZJRQKSHDMO-UHFFFAOYSA-N
XLogP27.62
TPSA738.17 Ų
H-Bond Donors5
H-Bond Acceptors61
Rotatable Bonds36
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003791.37
LogP ≤ 527.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1061

Analyze 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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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?
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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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 167662531) 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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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.
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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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?
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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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 is CC(C)NC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.CCCn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CCNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CN(C)C(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)c(F)c1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.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.
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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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?
The InChIKey is SDQAZJRQKSHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N7O.2C23H17F4N7O.2C22H15F4N7O.C21H17F3N8O2.C20H13F4N7O2S.C20H17F3N8/c1-12(2)29-22(36)13-4-5-15(17(25)9-13)19-6-7-21-30-31-23(35(21)33-19)24(27,28)16-8-14-11-34(3)32-20(14)10-18(16)26;1-32(2)21(35)14-5-4-12(9-16(14)24)18-6-7-20-28-29-22(34(20)31-18)23(26,27)15-8-13-11-33(3)30-19(13)10-17(15)25;1-3-28-21(35)14-5-4-12(9-16(14)24)18-6-7-20-29-30-22(34(20)32-18)23(26,27)15-8-13-11-33(2)31-19(13)10-17(15)25;1-27-20(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;1-27-20(34)13-4-3-11(8-15(13)23)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;1-3-8-30-10-12(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/h4-12H,1-3H3,(H,29,36);4-11H,1-3H3;4-11H,3H2,1-2H3,(H,28,35);2*3-10H,1-2H3,(H,27,34);2-7,9,13H,8,10-11H2,1H3;2-9H,1H3,(H2,25,32,33);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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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?
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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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 has a molecular weight of 3791.37 g/mol, XLogP of 27.62, 36 rotatable bonds, 5 hydrogen bond donors, and 61 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-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;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-(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]-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]-3-fluoro-N-methylbenzamide;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 is sourced from PubChem (CID 167662531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).