tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C174H210F6N50O20 — CID 157456231

IUPACtert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(-c4ccccc4OC(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CCOCC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCC(c4ccccc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCCCC3=O)nn2)nn1
InChIInChI=1S/C31H41N7O4.C27H26F3N7O3.C26H32N6O3.C25H32N8O2.C25H31N7O3.C21H22F3N7O2.C19H26N8O3/c1-31(2,3)42-30(41)37-16-13-23(14-17-37)24-9-7-8-22(18-24)19-27(39)20-26-12-11-25(33-34-26)10-5-6-15-38-21-28(35-36-38)29(40)32-4;1-31-26(39)24-17-37(36-35-24)13-5-4-6-19-9-10-20(34-33-19)15-22(38)16-21-14-18(11-12-32-21)23-7-2-3-8-25(23)40-27(28,29)30;1-27-26(34)25-18-32(31-30-25)12-3-2-7-22-8-9-23(29-28-22)17-24(33)16-19-5-4-6-21(15-19)20-10-13-35-14-11-20;1-26-25(35)22-17-33(31-29-22)14-6-5-9-21-10-11-23(30-28-21)27-24(34)18-32-15-12-20(13-16-32)19-7-3-2-4-8-19;1-26-25(34)24-17-32(31-30-24)11-3-2-4-20-5-6-21(29-28-20)15-23(33)16-22-14-19(7-10-27-22)18-8-12-35-13-9-18;1-25-20(33)19-13-31(30-29-19)9-3-2-4-15-5-6-16(28-27-15)11-18(32)12-17-10-14(7-8-26-17)21(22,23)24;1-20-19(30)15-12-27(25-23-15)11-5-2-6-14-8-9-16(24-22-14)21-17(28)13-26-10-4-3-7-18(26)29/h7-9,11-12,18,21,23H,5-6,10,13-17,19-20H2,1-4H3,(H,32,40);2-3,7-12,14,17H,4-6,13,15-16H2,1H3,(H,31,39);4-6,8-9,15,18,20H,2-3,7,10-14,16-17H2,1H3,(H,27,34);2-4,7-8,10-11,17,20H,5-6,9,12-16,18H2,1H3,(H,26,35)(H,27,30,34);5-7,10,14,17-18H,2-4,8-9,11-13,15-16H2,1H3,(H,26,34);5-8,10,13H,2-4,9,11-12H2,1H3,(H,25,33);8-9,12H,2-7,10-11,13H2,1H3,(H,20,30)(H,21,24,28)
InChIKeyBTJSLEPMJAGUAH-UHFFFAOYSA-N
MW3435.91 g/mol
LogP17.37
Rot. Bonds74

About tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 157456231) has the molecular formula C174H210F6N50O20 and a molecular weight of 3435.91 g/mol. Its IUPAC name is tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID157456231
Molecular FormulaC174H210F6N50O20
Molecular Weight3435.91 g/mol
Exact Mass3433.69
IUPAC Nametert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(-c4ccccc4OC(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CCOCC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCC(c4ccccc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCCCC3=O)nn2)nn1
InChIInChI=1S/C31H41N7O4.C27H26F3N7O3.C26H32N6O3.C25H32N8O2.C25H31N7O3.C21H22F3N7O2.C19H26N8O3/c1-31(2,3)42-30(41)37-16-13-23(14-17-37)24-9-7-8-22(18-24)19-27(39)20-26-12-11-25(33-34-26)10-5-6-15-38-21-28(35-36-38)29(40)32-4;1-31-26(39)24-17-37(36-35-24)13-5-4-6-19-9-10-20(34-33-19)15-22(38)16-21-14-18(11-12-32-21)23-7-2-3-8-25(23)40-27(28,29)30;1-27-26(34)25-18-32(31-30-25)12-3-2-7-22-8-9-23(29-28-22)17-24(33)16-19-5-4-6-21(15-19)20-10-13-35-14-11-20;1-26-25(35)22-17-33(31-29-22)14-6-5-9-21-10-11-23(30-28-21)27-24(34)18-32-15-12-20(13-16-32)19-7-3-2-4-8-19;1-26-25(34)24-17-32(31-30-24)11-3-2-4-20-5-6-21(29-28-20)15-23(33)16-22-14-19(7-10-27-22)18-8-12-35-13-9-18;1-25-20(33)19-13-31(30-29-19)9-3-2-4-15-5-6-16(28-27-15)11-18(32)12-17-10-14(7-8-26-17)21(22,23)24;1-20-19(30)15-12-27(25-23-15)11-5-2-6-14-8-9-16(24-22-14)21-17(28)13-26-10-4-3-7-18(26)29/h7-9,11-12,18,21,23H,5-6,10,13-17,19-20H2,1-4H3,(H,32,40);2-3,7-12,14,17H,4-6,13,15-16H2,1H3,(H,31,39);4-6,8-9,15,18,20H,2-3,7,10-14,16-17H2,1H3,(H,27,34);2-4,7-8,10-11,17,20H,5-6,9,12-16,18H2,1H3,(H,26,35)(H,27,30,34);5-7,10,14,17-18H,2-4,8-9,11-13,15-16H2,1H3,(H,26,34);5-8,10,13H,2-4,9,11-12H2,1H3,(H,25,33);8-9,12H,2-7,10-11,13H2,1H3,(H,20,30)(H,21,24,28)
InChIKeyBTJSLEPMJAGUAH-UHFFFAOYSA-N
XLogP17.37
TPSA862.13 Ų
H-Bond Donors9
H-Bond Acceptors59
Rotatable Bonds74
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003435.91
LogP ≤ 517.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-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;1-[(2R)-2-fluoro-4-[6-[[2-[4-(oxan-4-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-propan-2-yl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]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 163901176
1-[4-[6-[[2-[4-[cyclopropyl(difluoro)methyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 139460854
1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 148990259
1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646632
N-benzyl-1-[4-[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-methylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide;N-methyl-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 161267769
1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118646433
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
N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
CID 159455395
1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646595
N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 118640474
1-[(2R)-4-[6-[[2-[4-(cyclopropylmethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118653243
1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118640594

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The IUPAC name of tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 157456231) is tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(-c4ccccc4OC(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CCOCC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCC(c4ccccc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCCCC3=O)nn2)nn1.
What is the InChIKey of tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is BTJSLEPMJAGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O4.C27H26F3N7O3.C26H32N6O3.C25H32N8O2.C25H31N7O3.C21H22F3N7O2.C19H26N8O3/c1-31(2,3)42-30(41)37-16-13-23(14-17-37)24-9-7-8-22(18-24)19-27(39)20-26-12-11-25(33-34-26)10-5-6-15-38-21-28(35-36-38)29(40)32-4;1-31-26(39)24-17-37(36-35-24)13-5-4-6-19-9-10-20(34-33-19)15-22(38)16-21-14-18(11-12-32-21)23-7-2-3-8-25(23)40-27(28,29)30;1-27-26(34)25-18-32(31-30-25)12-3-2-7-22-8-9-23(29-28-22)17-24(33)16-19-5-4-6-21(15-19)20-10-13-35-14-11-20;1-26-25(35)22-17-33(31-29-22)14-6-5-9-21-10-11-23(30-28-21)27-24(34)18-32-15-12-20(13-16-32)19-7-3-2-4-8-19;1-26-25(34)24-17-32(31-30-24)11-3-2-4-20-5-6-21(29-28-20)15-23(33)16-22-14-19(7-10-27-22)18-8-12-35-13-9-18;1-25-20(33)19-13-31(30-29-19)9-3-2-4-15-5-6-16(28-27-15)11-18(32)12-17-10-14(7-8-26-17)21(22,23)24;1-20-19(30)15-12-27(25-23-15)11-5-2-6-14-8-9-16(24-22-14)21-17(28)13-26-10-4-3-7-18(26)29/h7-9,11-12,18,21,23H,5-6,10,13-17,19-20H2,1-4H3,(H,32,40);2-3,7-12,14,17H,4-6,13,15-16H2,1H3,(H,31,39);4-6,8-9,15,18,20H,2-3,7,10-14,16-17H2,1H3,(H,27,34);2-4,7-8,10-11,17,20H,5-6,9,12-16,18H2,1H3,(H,26,35)(H,27,30,34);5-7,10,14,17-18H,2-4,8-9,11-13,15-16H2,1H3,(H,26,34);5-8,10,13H,2-4,9,11-12H2,1H3,(H,25,33);8-9,12H,2-7,10-11,13H2,1H3,(H,20,30)(H,21,24,28).
What are the key properties of tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 3435.91 g/mol, XLogP of 17.37, 74 rotatable bonds, 9 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 157456231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).