N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide

C192H144F31N57O9 — CID 167695063

IUPACN-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5cc6cn(C)nc6cc5F)n4n3)cc2F)CC1.CNC(=O)c1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)ccn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)N6CCCC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)NC6CC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)c(F)cc2n1
InChIInChI=1S/C26H22F4N8O.C25H19F4N7O2.C25H19F4N7O.C25H18F4N6O.C24H17F4N7O.C24H19F4N7O.C22H15F4N7O.C21H15F3N8O/c1-35-7-9-37(10-8-35)24(39)17-4-3-15(12-19(17)27)21-5-6-23-31-32-25(38(23)34-21)26(29,30)18-11-16-14-36(2)33-22(16)13-20(18)28;1-34-13-15-10-17(19(27)12-21(15)32-34)25(28,29)24-31-30-22-5-4-20(33-36(22)24)14-2-3-16(18(26)11-14)23(37)35-6-8-38-9-7-35;1-34-13-15-10-17(19(27)12-21(15)32-34)25(28,29)24-31-30-22-7-6-20(33-36(22)24)14-4-5-16(18(26)11-14)23(37)35-8-2-3-9-35;1-34-12-16-8-17(19(27)11-21(16)32-34)25(28,29)24-31-30-23-7-6-20(33-35(23)24)15-5-4-14(18(26)9-15)10-22(36)13-2-3-13;1-34-11-13-8-16(18(26)10-20(13)32-34)24(27,28)23-31-30-21-7-6-19(33-35(21)23)12-2-5-15(17(25)9-12)22(36)29-14-3-4-14;1-12(2)29-22(36)15-5-4-13(9-17(15)25)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;1-27-20(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;1-25-19(33)17-8-11(5-6-26-17)15-3-4-18-27-28-20(32(18)30-15)21(23,24)13-7-12-10-31(2)29-16(12)9-14(13)22/h3-6,11-14H,7-10H2,1-2H3;2-5,10-13H,6-9H2,1H3;4-7,10-13H,2-3,8-9H2,1H3;4-9,11-13H,2-3,10H2,1H3;2,5-11,14H,3-4H2,1H3,(H,29,36);4-12H,1-3H3,(H,29,36);3-10H,1-2H3,(H,27,34);3-10H,1-2H3,(H,25,33)
InChIKeyXNJTYRXJKDMWSG-UHFFFAOYSA-N
MW3982.59 g/mol
LogP30.39
Rot. Bonds36

About N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide

N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide (PubChem CID 167695063) has the molecular formula C192H144F31N57O9 and a molecular weight of 3982.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide
PubChem CID167695063
Molecular FormulaC192H144F31N57O9
Molecular Weight3982.59 g/mol
Exact Mass3980.21
IUPAC NameN-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5cc6cn(C)nc6cc5F)n4n3)cc2F)CC1.CNC(=O)c1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)ccn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)N6CCCC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)NC6CC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)c(F)cc2n1
InChIInChI=1S/C26H22F4N8O.C25H19F4N7O2.C25H19F4N7O.C25H18F4N6O.C24H17F4N7O.C24H19F4N7O.C22H15F4N7O.C21H15F3N8O/c1-35-7-9-37(10-8-35)24(39)17-4-3-15(12-19(17)27)21-5-6-23-31-32-25(38(23)34-21)26(29,30)18-11-16-14-36(2)33-22(16)13-20(18)28;1-34-13-15-10-17(19(27)12-21(15)32-34)25(28,29)24-31-30-22-5-4-20(33-36(22)24)14-2-3-16(18(26)11-14)23(37)35-6-8-38-9-7-35;1-34-13-15-10-17(19(27)12-21(15)32-34)25(28,29)24-31-30-22-7-6-20(33-36(22)24)14-4-5-16(18(26)11-14)23(37)35-8-2-3-9-35;1-34-12-16-8-17(19(27)11-21(16)32-34)25(28,29)24-31-30-23-7-6-20(33-35(23)24)15-5-4-14(18(26)9-15)10-22(36)13-2-3-13;1-34-11-13-8-16(18(26)10-20(13)32-34)24(27,28)23-31-30-21-7-6-19(33-35(21)23)12-2-5-15(17(25)9-12)22(36)29-14-3-4-14;1-12(2)29-22(36)15-5-4-13(9-17(15)25)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;1-27-20(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;1-25-19(33)17-8-11(5-6-26-17)15-3-4-18-27-28-20(32(18)30-15)21(23,24)13-7-12-10-31(2)29-16(12)9-14(13)22/h3-6,11-14H,7-10H2,1-2H3;2-5,10-13H,6-9H2,1H3;4-7,10-13H,2-3,8-9H2,1H3;4-9,11-13H,2-3,10H2,1H3;2,5-11,14H,3-4H2,1H3,(H,29,36);4-12H,1-3H3,(H,29,36);3-10H,1-2H3,(H,27,34);3-10H,1-2H3,(H,25,33)
InChIKeyXNJTYRXJKDMWSG-UHFFFAOYSA-N
XLogP30.39
TPSA706.96 Ų
H-Bond Donors4
H-Bond Acceptors59
Rotatable Bonds36
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003982.59
LogP ≤ 530.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1059

Analyze N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide (CID 167695063) is N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5cc6cn(C)nc6cc5F)n4n3)cc2F)CC1.CNC(=O)c1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)ccn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)N6CCCC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(C(=O)NC6CC6)c(F)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)c(F)cc2n1.
What is the InChIKey of N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide?
The InChIKey is XNJTYRXJKDMWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N8O.C25H19F4N7O2.C25H19F4N7O.C25H18F4N6O.C24H17F4N7O.C24H19F4N7O.C22H15F4N7O.C21H15F3N8O/c1-35-7-9-37(10-8-35)24(39)17-4-3-15(12-19(17)27)21-5-6-23-31-32-25(38(23)34-21)26(29,30)18-11-16-14-36(2)33-22(16)13-20(18)28;1-34-13-15-10-17(19(27)12-21(15)32-34)25(28,29)24-31-30-22-5-4-20(33-36(22)24)14-2-3-16(18(26)11-14)23(37)35-6-8-38-9-7-35;1-34-13-15-10-17(19(27)12-21(15)32-34)25(28,29)24-31-30-22-7-6-20(33-36(22)24)14-4-5-16(18(26)11-14)23(37)35-8-2-3-9-35;1-34-12-16-8-17(19(27)11-21(16)32-34)25(28,29)24-31-30-23-7-6-20(33-35(23)24)15-5-4-14(18(26)9-15)10-22(36)13-2-3-13;1-34-11-13-8-16(18(26)10-20(13)32-34)24(27,28)23-31-30-21-7-6-19(33-35(21)23)12-2-5-15(17(25)9-12)22(36)29-14-3-4-14;1-12(2)29-22(36)15-5-4-13(9-17(15)25)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;1-27-20(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;1-25-19(33)17-8-11(5-6-26-17)15-3-4-18-27-28-20(32(18)30-15)21(23,24)13-7-12-10-31(2)29-16(12)9-14(13)22/h3-6,11-14H,7-10H2,1-2H3;2-5,10-13H,6-9H2,1H3;4-7,10-13H,2-3,8-9H2,1H3;4-9,11-13H,2-3,10H2,1H3;2,5-11,14H,3-4H2,1H3,(H,29,36);4-12H,1-3H3,(H,29,36);3-10H,1-2H3,(H,27,34);3-10H,1-2H3,(H,25,33).
What are the key properties of N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide?
N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide has a molecular weight of 3982.59 g/mol, XLogP of 30.39, 36 rotatable bonds, 4 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;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-fluoro-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]-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]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167695063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).