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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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

C155H169BrClF4N51O17S — CID 159719570

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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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(CCCCc2ccc(CC(=O)Cc3cccc(-c4ccccn4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(S(C)(=O)=O)c3)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)Cc3cccnc3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C26H25F3N8O3.C26H27N7O2.C23H26FN7O2.C22H26N6O4S.C20H22BrN7O2.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;1-27-26(35)25-18-33(32-31-25)14-5-3-9-21-11-12-22(30-29-21)17-23(34)16-19-7-6-8-20(15-19)24-10-2-4-13-28-24;1-25-23(33)22-14-31(30-29-22)13-17(24)4-5-18-6-7-19(28-27-18)11-21(32)12-20-10-16(8-9-26-20)15-2-3-15;1-23-22(30)21-15-28(27-26-21)11-4-3-7-17-9-10-18(25-24-17)14-19(29)12-16-6-5-8-20(13-16)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;1-21-19(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);2,4,6-8,10-13,15,18H,3,5,9,14,16-17H2,1H3,(H,27,35);6-10,14-15,17H,2-5,11-13H2,1H3,(H,25,33);5-6,8-10,13,15H,3-4,7,11-12,14H2,1-2H3,(H,23,30);4-6,8-9,11,13H,2-3,7,10,12H2,1H3,(H,22,30)(H,23,26,29);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;;17-;;;;/m..1..../s1
InChIKeyMZWAIYKKKKLJIV-IPRWDPEXSA-N
MW3241.81 g/mol
LogP14.70
Rot. Bonds72

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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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 159719570) has the molecular formula C155H169BrClF4N51O17S and a molecular weight of 3241.81 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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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 CID159719570
Molecular FormulaC155H169BrClF4N51O17S
Molecular Weight3241.81 g/mol
Exact Mass3238.25
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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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(CCCCc2ccc(CC(=O)Cc3cccc(-c4ccccn4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(S(C)(=O)=O)c3)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)Cc3cccnc3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C26H25F3N8O3.C26H27N7O2.C23H26FN7O2.C22H26N6O4S.C20H22BrN7O2.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;1-27-26(35)25-18-33(32-31-25)14-5-3-9-21-11-12-22(30-29-21)17-23(34)16-19-7-6-8-20(15-19)24-10-2-4-13-28-24;1-25-23(33)22-14-31(30-29-22)13-17(24)4-5-18-6-7-19(28-27-18)11-21(32)12-20-10-16(8-9-26-20)15-2-3-15;1-23-22(30)21-15-28(27-26-21)11-4-3-7-17-9-10-18(25-24-17)14-19(29)12-16-6-5-8-20(13-16)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;1-21-19(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);2,4,6-8,10-13,15,18H,3,5,9,14,16-17H2,1H3,(H,27,35);6-10,14-15,17H,2-5,11-13H2,1H3,(H,25,33);5-6,8-10,13,15H,3-4,7,11-12,14H2,1-2H3,(H,23,30);4-6,8-9,11,13H,2-3,7,10,12H2,1H3,(H,22,30)(H,23,26,29);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;;17-;;;;/m..1..../s1
InChIKeyMZWAIYKKKKLJIV-IPRWDPEXSA-N
XLogP14.70
TPSA874.56 Ų
H-Bond Donors11
H-Bond Acceptors57
Rotatable Bonds72
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003241.81
LogP ≤ 514.70
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1057

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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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 159719570) 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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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(CCCCc2ccc(CC(=O)Cc3cccc(-c4ccccn4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(S(C)(=O)=O)c3)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)Cc3cccnc3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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 MZWAIYKKKKLJIV-IPRWDPEXSA-N. The full InChI is InChI=1S/C26H25F3N8O3.C26H27N7O2.C23H26FN7O2.C22H26N6O4S.C20H22BrN7O2.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;1-27-26(35)25-18-33(32-31-25)14-5-3-9-21-11-12-22(30-29-21)17-23(34)16-19-7-6-8-20(15-19)24-10-2-4-13-28-24;1-25-23(33)22-14-31(30-29-22)13-17(24)4-5-18-6-7-19(28-27-18)11-21(32)12-20-10-16(8-9-26-20)15-2-3-15;1-23-22(30)21-15-28(27-26-21)11-4-3-7-17-9-10-18(25-24-17)14-19(29)12-16-6-5-8-20(13-16)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;1-21-19(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);2,4,6-8,10-13,15,18H,3,5,9,14,16-17H2,1H3,(H,27,35);6-10,14-15,17H,2-5,11-13H2,1H3,(H,25,33);5-6,8-10,13,15H,3-4,7,11-12,14H2,1-2H3,(H,23,30);4-6,8-9,11,13H,2-3,7,10,12H2,1H3,(H,22,30)(H,23,26,29);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;;17-;;;;/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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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 3241.81 g/mol, XLogP of 14.70, 72 rotatable bonds, 11 hydrogen bond donors, and 57 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-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-methylsulfonylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyridin-2-ylphenyl)propyl]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 159719570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).