1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C185H208F18N62O25 — CID 159455394

IUPAC1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cncc(OC4CC(F)(F)C4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4ccccc4OC(F)(F)F)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)OC3CCCCC3)nn2)nn1.O=C(Cc1cc(-c2cccc(OC(F)(F)F)c2)ccn1)Nc1ccc(CCCCn2cc(C(=O)CCCO)nn2)nn1
InChIInChI=1S/C28H28F3N7O4.C26H30F3N9O4.C25H28F3N9O4.C23H25F3N8O3.C23H27FN8O3.C21H21F4N7O2.C20H22FN7O2.C19H27N7O3/c29-28(30,31)42-23-7-3-5-19(16-23)20-11-12-32-22(15-20)17-27(41)33-26-10-9-21(34-36-26)6-1-2-13-38-18-24(35-37-38)25(40)8-4-14-39;1-30-25(41)21-15-38(35-33-21)10-3-2-6-19-8-9-22(34-32-19)31-23(39)16-37-12-11-36(17-24(37)40)14-18-5-4-7-20(13-18)42-26(27,28)29;1-29-24(40)18-14-37(34-32-18)11-5-4-6-17-9-10-21(33-31-17)30-22(38)15-36-13-12-35(16-23(36)39)19-7-2-3-8-20(19)41-25(26,27)28;1-27-22(36)19-13-34(33-31-19)12-15(24)2-3-16-4-5-20(32-30-16)29-21(35)7-14-6-17(11-28-10-14)37-18-8-23(25,26)9-18;1-25-23(34)20-14-32(31-29-20)13-15(24)5-6-16-7-8-21(30-28-16)27-22(33)12-17-11-19(9-10-26-17)35-18-3-2-4-18;1-26-20(34)19-12-32(31-30-19)11-14(22)2-3-15-4-5-16(29-28-15)9-18(33)10-17-8-13(6-7-27-17)21(23,24)25;1-22-20(30)17-13-28(27-25-17)12-15(21)7-8-16-9-10-18(26-24-16)23-19(29)11-14-5-3-2-4-6-14;1-20-18(27)16-13-26(25-23-16)12-6-5-7-14-10-11-17(24-22-14)21-19(28)29-15-8-3-2-4-9-15/h3,5,7,9-12,15-16,18,39H,1-2,4,6,8,13-14,17H2,(H,33,36,41);4-5,7-9,13,15H,2-3,6,10-12,14,16-17H2,1H3,(H,30,41)(H,31,34,39);2-3,7-10,14H,4-6,11-13,15-16H2,1H3,(H,29,40)(H,30,33,38);4-6,10-11,13,15,18H,2-3,7-9,12H2,1H3,(H,27,36)(H,29,32,35);7-11,14-15,18H,2-6,12-13H2,1H3,(H,25,34)(H,27,30,33);4-8,12,14H,2-3,9-11H2,1H3,(H,26,34);2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,30)(H,23,26,29);10-11,13,15H,2-9,12H2,1H3,(H,20,27)(H,21,24,28)
InChIKeyLTXFTGUURCWPCC-UHFFFAOYSA-N
MW4042.07 g/mol
LogP17.59
Rot. Bonds86

About 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 159455394) has the molecular formula C185H208F18N62O25 and a molecular weight of 4042.07 g/mol. Its IUPAC name is 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID159455394
Molecular FormulaC185H208F18N62O25
Molecular Weight4042.07 g/mol
Exact Mass4039.66
IUPAC Name1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cncc(OC4CC(F)(F)C4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4ccccc4OC(F)(F)F)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)OC3CCCCC3)nn2)nn1.O=C(Cc1cc(-c2cccc(OC(F)(F)F)c2)ccn1)Nc1ccc(CCCCn2cc(C(=O)CCCO)nn2)nn1
InChIInChI=1S/C28H28F3N7O4.C26H30F3N9O4.C25H28F3N9O4.C23H25F3N8O3.C23H27FN8O3.C21H21F4N7O2.C20H22FN7O2.C19H27N7O3/c29-28(30,31)42-23-7-3-5-19(16-23)20-11-12-32-22(15-20)17-27(41)33-26-10-9-21(34-36-26)6-1-2-13-38-18-24(35-37-38)25(40)8-4-14-39;1-30-25(41)21-15-38(35-33-21)10-3-2-6-19-8-9-22(34-32-19)31-23(39)16-37-12-11-36(17-24(37)40)14-18-5-4-7-20(13-18)42-26(27,28)29;1-29-24(40)18-14-37(34-32-18)11-5-4-6-17-9-10-21(33-31-17)30-22(38)15-36-13-12-35(16-23(36)39)19-7-2-3-8-20(19)41-25(26,27)28;1-27-22(36)19-13-34(33-31-19)12-15(24)2-3-16-4-5-20(32-30-16)29-21(35)7-14-6-17(11-28-10-14)37-18-8-23(25,26)9-18;1-25-23(34)20-14-32(31-29-20)13-15(24)5-6-16-7-8-21(30-28-16)27-22(33)12-17-11-19(9-10-26-17)35-18-3-2-4-18;1-26-20(34)19-12-32(31-30-19)11-14(22)2-3-15-4-5-16(29-28-15)9-18(33)10-17-8-13(6-7-27-17)21(23,24)25;1-22-20(30)17-13-28(27-25-17)12-15(21)7-8-16-9-10-18(26-24-16)23-19(29)11-14-5-3-2-4-6-14;1-20-18(27)16-13-26(25-23-16)12-6-5-7-14-10-11-17(24-22-14)21-19(28)29-15-8-3-2-4-9-15/h3,5,7,9-12,15-16,18,39H,1-2,4,6,8,13-14,17H2,(H,33,36,41);4-5,7-9,13,15H,2-3,6,10-12,14,16-17H2,1H3,(H,30,41)(H,31,34,39);2-3,7-10,14H,4-6,11-13,15-16H2,1H3,(H,29,40)(H,30,33,38);4-6,10-11,13,15,18H,2-3,7-9,12H2,1H3,(H,27,36)(H,29,32,35);7-11,14-15,18H,2-6,12-13H2,1H3,(H,25,34)(H,27,30,33);4-8,12,14H,2-3,9-11H2,1H3,(H,26,34);2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,30)(H,23,26,29);10-11,13,15H,2-9,12H2,1H3,(H,20,27)(H,21,24,28)
InChIKeyLTXFTGUURCWPCC-UHFFFAOYSA-N
XLogP17.59
TPSA1067.73 Ų
H-Bond Donors15
H-Bond Acceptors71
Rotatable Bonds86
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004042.07
LogP ≤ 517.59
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

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

Analyze 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]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-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 159455394) is 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(NC(=O)Cc3cncc(OC4CC(F)(F)C4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4ccccc4OC(F)(F)F)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)OC3CCCCC3)nn2)nn1.O=C(Cc1cc(-c2cccc(OC(F)(F)F)c2)ccn1)Nc1ccc(CCCCn2cc(C(=O)CCCO)nn2)nn1.
What is the InChIKey of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is LTXFTGUURCWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O4.C26H30F3N9O4.C25H28F3N9O4.C23H25F3N8O3.C23H27FN8O3.C21H21F4N7O2.C20H22FN7O2.C19H27N7O3/c29-28(30,31)42-23-7-3-5-19(16-23)20-11-12-32-22(15-20)17-27(41)33-26-10-9-21(34-36-26)6-1-2-13-38-18-24(35-37-38)25(40)8-4-14-39;1-30-25(41)21-15-38(35-33-21)10-3-2-6-19-8-9-22(34-32-19)31-23(39)16-37-12-11-36(17-24(37)40)14-18-5-4-7-20(13-18)42-26(27,28)29;1-29-24(40)18-14-37(34-32-18)11-5-4-6-17-9-10-21(33-31-17)30-22(38)15-36-13-12-35(16-23(36)39)19-7-2-3-8-20(19)41-25(26,27)28;1-27-22(36)19-13-34(33-31-19)12-15(24)2-3-16-4-5-20(32-30-16)29-21(35)7-14-6-17(11-28-10-14)37-18-8-23(25,26)9-18;1-25-23(34)20-14-32(31-29-20)13-15(24)5-6-16-7-8-21(30-28-16)27-22(33)12-17-11-19(9-10-26-17)35-18-3-2-4-18;1-26-20(34)19-12-32(31-30-19)11-14(22)2-3-15-4-5-16(29-28-15)9-18(33)10-17-8-13(6-7-27-17)21(23,24)25;1-22-20(30)17-13-28(27-25-17)12-15(21)7-8-16-9-10-18(26-24-16)23-19(29)11-14-5-3-2-4-6-14;1-20-18(27)16-13-26(25-23-16)12-6-5-7-14-10-11-17(24-22-14)21-19(28)29-15-8-3-2-4-9-15/h3,5,7,9-12,15-16,18,39H,1-2,4,6,8,13-14,17H2,(H,33,36,41);4-5,7-9,13,15H,2-3,6,10-12,14,16-17H2,1H3,(H,30,41)(H,31,34,39);2-3,7-10,14H,4-6,11-13,15-16H2,1H3,(H,29,40)(H,30,33,38);4-6,10-11,13,15,18H,2-3,7-9,12H2,1H3,(H,27,36)(H,29,32,35);7-11,14-15,18H,2-6,12-13H2,1H3,(H,25,34)(H,27,30,33);4-8,12,14H,2-3,9-11H2,1H3,(H,26,34);2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,30)(H,23,26,29);10-11,13,15H,2-9,12H2,1H3,(H,20,27)(H,21,24,28).
What are the key properties of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 4042.07 g/mol, XLogP of 17.59, 86 rotatable bonds, 15 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 159455394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).