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

C165H122F27N51O8 — CID 159576460

IUPAC1-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;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5cc6cn(C)nc6cc5F)n4n3)cc2F)CC1.CNC(=O)c1c(F)cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CNC(=O)c1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)ccn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cn1.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(CC(=O)C6CC6)c(F)c5)nn34)c(F)cc2n1
InChIInChI=1S/C26H22F4N8O.C25H19F4N7O2.C25H19F4N7O.C25H18F4N6O.C22H14F5N7O.2C21H15F3N8O/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;1-28-20(35)19-14(24)6-10(7-15(19)25)16-3-4-18-29-30-21(34(18)32-16)22(26,27)12-5-11-9-33(2)31-17(11)8-13(12)23;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;1-25-19(33)16-4-3-11(9-26-16)15-5-6-18-27-28-20(32(18)30-15)21(23,24)13-7-12-10-31(2)29-17(12)8-14(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;3-9H,1-2H3,(H,28,35);2*3-10H,1-2H3,(H,25,33)
InChIKeyMILSKCVTNKZVLK-UHFFFAOYSA-N
MW3460.09 g/mol
LogP25.02
Rot. Bonds30

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

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;5-[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 159576460) has the molecular formula C165H122F27N51O8 and a molecular weight of 3460.09 g/mol. Its IUPAC name is 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;5-[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 Name1-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;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID159576460
Molecular FormulaC165H122F27N51O8
Molecular Weight3460.09 g/mol
Exact Mass3458.03
IUPAC Name1-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;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5cc6cn(C)nc6cc5F)n4n3)cc2F)CC1.CNC(=O)c1c(F)cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CNC(=O)c1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)ccn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cn1.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(CC(=O)C6CC6)c(F)c5)nn34)c(F)cc2n1
InChIInChI=1S/C26H22F4N8O.C25H19F4N7O2.C25H19F4N7O.C25H18F4N6O.C22H14F5N7O.2C21H15F3N8O/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;1-28-20(35)19-14(24)6-10(7-15(19)25)16-3-4-18-29-30-21(34(18)32-16)22(26,27)12-5-11-9-33(2)31-17(11)8-13(12)23;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;1-25-19(33)16-4-3-11(9-26-16)15-5-6-18-27-28-20(32(18)30-15)21(23,24)13-7-12-10-31(2)29-17(12)8-14(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;3-9H,1-2H3,(H,28,35);2*3-10H,1-2H3,(H,25,33)
InChIKeyMILSKCVTNKZVLK-UHFFFAOYSA-N
XLogP25.02
TPSA629.85 Ų
H-Bond Donors3
H-Bond Acceptors53
Rotatable Bonds30
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003460.09
LogP ≤ 525.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1053

Analyze 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;5-[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 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;5-[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 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;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide (CID 159576460) is 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;5-[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 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;5-[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 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;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide is CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5cc6cn(C)nc6cc5F)n4n3)cc2F)CC1.CNC(=O)c1c(F)cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cc1F.CNC(=O)c1cc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)ccn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4cc5cn(C)nc5cc4F)n3n2)cn1.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(CC(=O)C6CC6)c(F)c5)nn34)c(F)cc2n1.
What is the InChIKey of 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;5-[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 MILSKCVTNKZVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N8O.C25H19F4N7O2.C25H19F4N7O.C25H18F4N6O.C22H14F5N7O.2C21H15F3N8O/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;1-28-20(35)19-14(24)6-10(7-15(19)25)16-3-4-18-29-30-21(34(18)32-16)22(26,27)12-5-11-9-33(2)31-17(11)8-13(12)23;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;1-25-19(33)16-4-3-11(9-26-16)15-5-6-18-27-28-20(32(18)30-15)21(23,24)13-7-12-10-31(2)29-17(12)8-14(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;3-9H,1-2H3,(H,28,35);2*3-10H,1-2H3,(H,25,33).
What are the key properties of 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;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide?
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;5-[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 3460.09 g/mol, XLogP of 25.02, 30 rotatable bonds, 3 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5-[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 159576460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).