1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide

C168H194F17N51O21 — CID 158185084

IUPAC1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCC(=O)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CCC(CO)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N(C)C)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)OC3CCCCC3)nn2)nn1
InChIInChI=1S/C27H25F4N7O3.C26H28F4N8O4.C26H31F3N8O3.C26H31F3N6O4.C23H29N7O2.C21H23F3N8O2.C19H27N7O3/c1-32-26(40)25-16-38(37-36-25)15-19(28)5-6-20-7-8-21(35-34-20)13-23(39)14-22-11-18(9-10-33-22)17-3-2-4-24(12-17)41-27(29,30)31;1-31-25(41)23-15-38(35-34-23)13-17(27)5-6-18-7-8-19(33-32-18)11-21(39)14-37-10-9-36(16-24(37)40)20-3-2-4-22(12-20)42-26(28,29)30;1-30-25(39)24-18-37(34-33-24)11-3-2-4-19-5-6-20(32-31-19)16-22(38)17-35-12-14-36(15-13-35)21-7-9-23(10-8-21)40-26(27,28)29;1-2-18(17-36)9-11-23(37)22-16-35(34-32-22)13-4-3-7-20-10-12-24(33-31-20)30-25(38)15-19-6-5-8-21(14-19)39-26(27,28)29;1-24-23(32)22-16-30(28-27-22)12-5-4-8-18-10-11-19(26-25-18)15-21(31)14-17-7-6-9-20(13-17)29(2)3;1-13(33)27-19-6-5-16(28-30-19)4-3-15(22)11-32-12-18(29-31-32)20(34)26-10-17-9-14(7-8-25-17)21(2,23)24;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/h2-4,7-12,16,19H,5-6,13-15H2,1H3,(H,32,40);2-4,7-8,12,15,17H,5-6,9-11,13-14,16H2,1H3,(H,31,41);5-10,18H,2-4,11-17H2,1H3,(H,30,39);5-6,8,10,12,14,16,18,36H,2-4,7,9,11,13,15,17H2,1H3,(H,30,33,38);6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3,(H,24,32);5-9,12,15H,3-4,10-11H2,1-2H3,(H,26,34)(H,27,30,33);10-11,13,15H,2-9,12H2,1H3,(H,20,27)(H,21,24,28)
InChIKeyFZAXFVPYUFLTGF-UHFFFAOYSA-N
MW3586.70 g/mol
LogP18.54
Rot. Bonds80

About 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide

1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 158185084) has the molecular formula C168H194F17N51O21 and a molecular weight of 3586.70 g/mol. Its IUPAC name is 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID158185084
Molecular FormulaC168H194F17N51O21
Molecular Weight3586.70 g/mol
Exact Mass3584.54
IUPAC Name1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCC(=O)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CCC(CO)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N(C)C)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)OC3CCCCC3)nn2)nn1
InChIInChI=1S/C27H25F4N7O3.C26H28F4N8O4.C26H31F3N8O3.C26H31F3N6O4.C23H29N7O2.C21H23F3N8O2.C19H27N7O3/c1-32-26(40)25-16-38(37-36-25)15-19(28)5-6-20-7-8-21(35-34-20)13-23(39)14-22-11-18(9-10-33-22)17-3-2-4-24(12-17)41-27(29,30)31;1-31-25(41)23-15-38(35-34-23)13-17(27)5-6-18-7-8-19(33-32-18)11-21(39)14-37-10-9-36(16-24(37)40)20-3-2-4-22(12-20)42-26(28,29)30;1-30-25(39)24-18-37(34-33-24)11-3-2-4-19-5-6-20(32-31-19)16-22(38)17-35-12-14-36(15-13-35)21-7-9-23(10-8-21)40-26(27,28)29;1-2-18(17-36)9-11-23(37)22-16-35(34-32-22)13-4-3-7-20-10-12-24(33-31-20)30-25(38)15-19-6-5-8-21(14-19)39-26(27,28)29;1-24-23(32)22-16-30(28-27-22)12-5-4-8-18-10-11-19(26-25-18)15-21(31)14-17-7-6-9-20(13-17)29(2)3;1-13(33)27-19-6-5-16(28-30-19)4-3-15(22)11-32-12-18(29-31-32)20(34)26-10-17-9-14(7-8-25-17)21(2,23)24;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/h2-4,7-12,16,19H,5-6,13-15H2,1H3,(H,32,40);2-4,7-8,12,15,17H,5-6,9-11,13-14,16H2,1H3,(H,31,41);5-10,18H,2-4,11-17H2,1H3,(H,30,39);5-6,8,10,12,14,16,18,36H,2-4,7,9,11,13,15,17H2,1H3,(H,30,33,38);6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3,(H,24,32);5-9,12,15H,3-4,10-11H2,1-2H3,(H,26,34)(H,27,30,33);10-11,13,15H,2-9,12H2,1H3,(H,20,27)(H,21,24,28)
InChIKeyFZAXFVPYUFLTGF-UHFFFAOYSA-N
XLogP18.54
TPSA868.11 Ų
H-Bond Donors10
H-Bond Acceptors62
Rotatable Bonds80
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003586.70
LogP ≤ 518.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 158185084) is 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide is CC(=O)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CCC(CO)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2ccc(CC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N(C)C)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)OC3CCCCC3)nn2)nn1.
What is the InChIKey of 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is FZAXFVPYUFLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N7O3.C26H28F4N8O4.C26H31F3N8O3.C26H31F3N6O4.C23H29N7O2.C21H23F3N8O2.C19H27N7O3/c1-32-26(40)25-16-38(37-36-25)15-19(28)5-6-20-7-8-21(35-34-20)13-23(39)14-22-11-18(9-10-33-22)17-3-2-4-24(12-17)41-27(29,30)31;1-31-25(41)23-15-38(35-34-23)13-17(27)5-6-18-7-8-19(33-32-18)11-21(39)14-37-10-9-36(16-24(37)40)20-3-2-4-22(12-20)42-26(28,29)30;1-30-25(39)24-18-37(34-33-24)11-3-2-4-19-5-6-20(32-31-19)16-22(38)17-35-12-14-36(15-13-35)21-7-9-23(10-8-21)40-26(27,28)29;1-2-18(17-36)9-11-23(37)22-16-35(34-32-22)13-4-3-7-20-10-12-24(33-31-20)30-25(38)15-19-6-5-8-21(14-19)39-26(27,28)29;1-24-23(32)22-16-30(28-27-22)12-5-4-8-18-10-11-19(26-25-18)15-21(31)14-17-7-6-9-20(13-17)29(2)3;1-13(33)27-19-6-5-16(28-30-19)4-3-15(22)11-32-12-18(29-31-32)20(34)26-10-17-9-14(7-8-25-17)21(2,23)24;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/h2-4,7-12,16,19H,5-6,13-15H2,1H3,(H,32,40);2-4,7-8,12,15,17H,5-6,9-11,13-14,16H2,1H3,(H,31,41);5-10,18H,2-4,11-17H2,1H3,(H,30,39);5-6,8,10,12,14,16,18,36H,2-4,7,9,11,13,15,17H2,1H3,(H,30,33,38);6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3,(H,24,32);5-9,12,15H,3-4,10-11H2,1-2H3,(H,26,34)(H,27,30,33);10-11,13,15H,2-9,12H2,1H3,(H,20,27)(H,21,24,28).
What are the key properties of 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 3586.70 g/mol, XLogP of 18.54, 80 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;cyclohexyl N-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]carbamate;1-[4-[6-[3-[3-(dimethylamino)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 158185084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).