1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C147H161BrClF7N54O18S — CID 160633777

IUPAC1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccc(Cl)nc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(Br)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(S(C)(=O)=O)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccnc3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C26H25F3N8O3.C22H25FN8O2.C21H25N7O4S.C20H22BrN7O2.C20H21F3N8O3.C19H21ClN8O2.C19H22N8O2/c27-26(28,29)40-21-9-5-6-18(14-21)15-24(38)32-23-11-10-19(33-35-23)7-2-4-13-37-17-22(34-36-37)25(39)31-16-20-8-1-3-12-30-20;1-24-22(33)19-13-31(30-28-19)12-16(23)4-5-17-6-7-20(29-27-17)26-21(32)11-18-10-15(8-9-25-18)14-2-3-14;1-22-21(30)18-14-28(27-25-18)11-4-3-7-16-9-10-19(26-24-16)23-20(29)13-15-6-5-8-17(12-15)33(2,31)32;1-22-20(30)17-13-28(27-25-17)10-3-2-7-16-8-9-18(26-24-16)23-19(29)12-14-5-4-6-15(21)11-14;1-24-19(33)16-11-31(30-28-16)10-12(21)2-3-13-4-5-17(29-27-13)26-18(32)9-14-8-15(6-7-25-14)34-20(22)23;1-21-19(30)15-12-28(27-25-15)9-3-2-4-14-6-8-17(26-24-14)23-18(29)10-13-5-7-16(20)22-11-13;1-20-19(29)16-13-27(26-24-16)10-3-2-6-15-7-8-17(25-23-15)22-18(28)11-14-5-4-9-21-12-14/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38);6-10,13-14,16H,2-5,11-12H2,1H3,(H,24,33)(H,26,29,32);5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,22,30)(H,23,26,29);4-6,8-9,11,13H,2-3,7,10,12H2,1H3,(H,22,30)(H,23,26,29);4-8,11-12,20H,2-3,9-10H2,1H3,(H,24,33)(H,26,29,32);5-8,11-12H,2-4,9-10H2,1H3,(H,21,30)(H,23,26,29);4-5,7-9,12-13H,2-3,6,10-11H2,1H3,(H,20,29)(H,22,25,28)/t;16-;;;;;/m.1...../s1
InChIKeyRIGMTJJEJLVBTB-IDGANSILSA-N
MW3252.67 g/mol
LogP13.06
Rot. Bonds70

About 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 160633777) has the molecular formula C147H161BrClF7N54O18S and a molecular weight of 3252.67 g/mol. Its IUPAC name is 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID160633777
Molecular FormulaC147H161BrClF7N54O18S
Molecular Weight3252.67 g/mol
Exact Mass3249.18
IUPAC Name1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccc(Cl)nc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(Br)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(S(C)(=O)=O)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccnc3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C26H25F3N8O3.C22H25FN8O2.C21H25N7O4S.C20H22BrN7O2.C20H21F3N8O3.C19H21ClN8O2.C19H22N8O2/c27-26(28,29)40-21-9-5-6-18(14-21)15-24(38)32-23-11-10-19(33-35-23)7-2-4-13-37-17-22(34-36-37)25(39)31-16-20-8-1-3-12-30-20;1-24-22(33)19-13-31(30-28-19)12-16(23)4-5-17-6-7-20(29-27-17)26-21(32)11-18-10-15(8-9-25-18)14-2-3-14;1-22-21(30)18-14-28(27-25-18)11-4-3-7-16-9-10-19(26-24-16)23-20(29)13-15-6-5-8-17(12-15)33(2,31)32;1-22-20(30)17-13-28(27-25-17)10-3-2-7-16-8-9-18(26-24-16)23-19(29)12-14-5-4-6-15(21)11-14;1-24-19(33)16-11-31(30-28-16)10-12(21)2-3-13-4-5-17(29-27-13)26-18(32)9-14-8-15(6-7-25-14)34-20(22)23;1-21-19(30)15-12-28(27-25-15)9-3-2-4-14-6-8-17(26-24-14)23-18(29)10-13-5-7-16(20)22-11-13;1-20-19(29)16-13-27(26-24-16)10-3-2-6-15-7-8-17(25-23-15)22-18(28)11-14-5-4-9-21-12-14/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38);6-10,13-14,16H,2-5,11-12H2,1H3,(H,24,33)(H,26,29,32);5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,22,30)(H,23,26,29);4-6,8-9,11,13H,2-3,7,10,12H2,1H3,(H,22,30)(H,23,26,29);4-8,11-12,20H,2-3,9-10H2,1H3,(H,24,33)(H,26,29,32);5-8,11-12H,2-4,9-10H2,1H3,(H,21,30)(H,23,26,29);4-5,7-9,12-13H,2-3,6,10-11H2,1H3,(H,20,29)(H,22,25,28)/t;16-;;;;;/m.1...../s1
InChIKeyRIGMTJJEJLVBTB-IDGANSILSA-N
XLogP13.06
TPSA919.88 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds70
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003252.67
LogP ≤ 513.06
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 160633777) is 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccc(Cl)nc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(Br)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(S(C)(=O)=O)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccnc3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.
What is the InChIKey of 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is RIGMTJJEJLVBTB-IDGANSILSA-N. The full InChI is InChI=1S/C26H25F3N8O3.C22H25FN8O2.C21H25N7O4S.C20H22BrN7O2.C20H21F3N8O3.C19H21ClN8O2.C19H22N8O2/c27-26(28,29)40-21-9-5-6-18(14-21)15-24(38)32-23-11-10-19(33-35-23)7-2-4-13-37-17-22(34-36-37)25(39)31-16-20-8-1-3-12-30-20;1-24-22(33)19-13-31(30-28-19)12-16(23)4-5-17-6-7-20(29-27-17)26-21(32)11-18-10-15(8-9-25-18)14-2-3-14;1-22-21(30)18-14-28(27-25-18)11-4-3-7-16-9-10-19(26-24-16)23-20(29)13-15-6-5-8-17(12-15)33(2,31)32;1-22-20(30)17-13-28(27-25-17)10-3-2-7-16-8-9-18(26-24-16)23-19(29)12-14-5-4-6-15(21)11-14;1-24-19(33)16-11-31(30-28-16)10-12(21)2-3-13-4-5-17(29-27-13)26-18(32)9-14-8-15(6-7-25-14)34-20(22)23;1-21-19(30)15-12-28(27-25-15)9-3-2-4-14-6-8-17(26-24-14)23-18(29)10-13-5-7-16(20)22-11-13;1-20-19(29)16-13-27(26-24-16)10-3-2-6-15-7-8-17(25-23-15)22-18(28)11-14-5-4-9-21-12-14/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38);6-10,13-14,16H,2-5,11-12H2,1H3,(H,24,33)(H,26,29,32);5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,22,30)(H,23,26,29);4-6,8-9,11,13H,2-3,7,10,12H2,1H3,(H,22,30)(H,23,26,29);4-8,11-12,20H,2-3,9-10H2,1H3,(H,24,33)(H,26,29,32);5-8,11-12H,2-4,9-10H2,1H3,(H,21,30)(H,23,26,29);4-5,7-9,12-13H,2-3,6,10-11H2,1H3,(H,20,29)(H,22,25,28)/t;16-;;;;;/m.1...../s1.
What are the key properties of 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 3252.67 g/mol, XLogP of 13.06, 70 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 160633777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).