1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C168H192F22N50O22 — CID 158024509

IUPAC1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESC#CCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CC(=O)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CCC(CO)CCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CCCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.COCCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN
InChIInChI=1S/C26H33F3N6O4.C25H30F3N9O3.C24H23F4N9O3.C24H29F3N6O4.C24H29F3N6O3.C24H25F3N6O3.C21H23F3N8O2/c1-2-18(17-36)9-11-23(37)22(33-30)16-31-13-4-3-7-20-10-12-24(35-34-20)32-25(38)15-19-6-5-8-21(14-19)39-26(27,28)29;1-29-24(39)21-16-37(34-32-21)11-3-2-4-18-5-10-22(33-31-18)30-23(38)17-35-12-14-36(15-13-35)19-6-8-20(9-7-19)40-25(26,27)28;1-29-23(39)20-13-37(35-33-20)11-15(25)5-6-16-7-8-21(34-32-16)31-22(38)9-17-12-36(14-30-17)18-3-2-4-19(10-18)40-24(26,27)28;1-36-13-5-9-21(34)20(31-28)16-29-12-3-2-7-18-10-11-22(33-32-18)30-23(35)15-17-6-4-8-19(14-17)37-24(25,26)27;2*1-2-3-10-21(34)20(31-28)16-29-13-5-4-8-18-11-12-22(33-32-18)30-23(35)15-17-7-6-9-19(14-17)36-24(25,26)27;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/h5-6,8,10,12,14,16,18,36H,2-4,7,9,11,13,15,17,30H2,1H3,(H,32,35,38);5-10,16H,2-4,11-15,17H2,1H3,(H,29,39)(H,30,33,38);2-4,7-8,10,12-15H,5-6,9,11H2,1H3,(H,29,39)(H,31,34,38);4,6,8,10-11,14,16H,2-3,5,7,9,12-13,15,28H2,1H3,(H,30,33,35);6-7,9,11-12,14,16H,2-5,8,10,13,15,28H2,1H3,(H,30,33,35);1,6-7,9,11-12,14,16H,3-5,8,10,13,15,28H2,(H,30,33,35);5-9,12,15H,3-4,10-11H2,1-2H3,(H,26,34)(H,27,30,33)/b31-16+,33-22?;;;3*29-16+,31-20?;/t;;15-;;;;/m..1..../s1
InChIKeyYQSPZTBSWVFMCI-ROXRYVOJSA-N
MW3681.67 g/mol
LogP21.37
Rot. Bonds90

About 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 158024509) has the molecular formula C168H192F22N50O22 and a molecular weight of 3681.67 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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID158024509
Molecular FormulaC168H192F22N50O22
Molecular Weight3681.67 g/mol
Exact Mass3679.51
IUPAC Name1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESC#CCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CC(=O)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CCC(CO)CCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CCCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.COCCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN
InChIInChI=1S/C26H33F3N6O4.C25H30F3N9O3.C24H23F4N9O3.C24H29F3N6O4.C24H29F3N6O3.C24H25F3N6O3.C21H23F3N8O2/c1-2-18(17-36)9-11-23(37)22(33-30)16-31-13-4-3-7-20-10-12-24(35-34-20)32-25(38)15-19-6-5-8-21(14-19)39-26(27,28)29;1-29-24(39)21-16-37(34-32-21)11-3-2-4-18-5-10-22(33-31-18)30-23(38)17-35-12-14-36(15-13-35)19-6-8-20(9-7-19)40-25(26,27)28;1-29-23(39)20-13-37(35-33-20)11-15(25)5-6-16-7-8-21(34-32-16)31-22(38)9-17-12-36(14-30-17)18-3-2-4-19(10-18)40-24(26,27)28;1-36-13-5-9-21(34)20(31-28)16-29-12-3-2-7-18-10-11-22(33-32-18)30-23(35)15-17-6-4-8-19(14-17)37-24(25,26)27;2*1-2-3-10-21(34)20(31-28)16-29-13-5-4-8-18-11-12-22(33-32-18)30-23(35)15-17-7-6-9-19(14-17)36-24(25,26)27;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/h5-6,8,10,12,14,16,18,36H,2-4,7,9,11,13,15,17,30H2,1H3,(H,32,35,38);5-10,16H,2-4,11-15,17H2,1H3,(H,29,39)(H,30,33,38);2-4,7-8,10,12-15H,5-6,9,11H2,1H3,(H,29,39)(H,31,34,38);4,6,8,10-11,14,16H,2-3,5,7,9,12-13,15,28H2,1H3,(H,30,33,35);6-7,9,11-12,14,16H,2-5,8,10,13,15,28H2,1H3,(H,30,33,35);1,6-7,9,11-12,14,16H,3-5,8,10,13,15,28H2,(H,30,33,35);5-9,12,15H,3-4,10-11H2,1-2H3,(H,26,34)(H,27,30,33)/b31-16+,33-22?;;;3*29-16+,31-20?;/t;;15-;;;;/m..1..../s1
InChIKeyYQSPZTBSWVFMCI-ROXRYVOJSA-N
XLogP21.37
TPSA956.86 Ų
H-Bond Donors15
H-Bond Acceptors62
Rotatable Bonds90
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003681.67
LogP ≤ 521.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 158024509) is 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is C#CCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CC(=O)Nc1ccc(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CCC(CO)CCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CCCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.COCCCC(=O)C(/C=N/CCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1)=NN.
What is the InChIKey of 1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is YQSPZTBSWVFMCI-ROXRYVOJSA-N. The full InChI is InChI=1S/C26H33F3N6O4.C25H30F3N9O3.C24H23F4N9O3.C24H29F3N6O4.C24H29F3N6O3.C24H25F3N6O3.C21H23F3N8O2/c1-2-18(17-36)9-11-23(37)22(33-30)16-31-13-4-3-7-20-10-12-24(35-34-20)32-25(38)15-19-6-5-8-21(14-19)39-26(27,28)29;1-29-24(39)21-16-37(34-32-21)11-3-2-4-18-5-10-22(33-31-18)30-23(38)17-35-12-14-36(15-13-35)19-6-8-20(9-7-19)40-25(26,27)28;1-29-23(39)20-13-37(35-33-20)11-15(25)5-6-16-7-8-21(34-32-16)31-22(38)9-17-12-36(14-30-17)18-3-2-4-19(10-18)40-24(26,27)28;1-36-13-5-9-21(34)20(31-28)16-29-12-3-2-7-18-10-11-22(33-32-18)30-23(35)15-17-6-4-8-19(14-17)37-24(25,26)27;2*1-2-3-10-21(34)20(31-28)16-29-13-5-4-8-18-11-12-22(33-32-18)30-23(35)15-17-7-6-9-19(14-17)36-24(25,26)27;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/h5-6,8,10,12,14,16,18,36H,2-4,7,9,11,13,15,17,30H2,1H3,(H,32,35,38);5-10,16H,2-4,11-15,17H2,1H3,(H,29,39)(H,30,33,38);2-4,7-8,10,12-15H,5-6,9,11H2,1H3,(H,29,39)(H,31,34,38);4,6,8,10-11,14,16H,2-3,5,7,9,12-13,15,28H2,1H3,(H,30,33,35);6-7,9,11-12,14,16H,2-5,8,10,13,15,28H2,1H3,(H,30,33,35);1,6-7,9,11-12,14,16H,3-5,8,10,13,15,28H2,(H,30,33,35);5-9,12,15H,3-4,10-11H2,1-2H3,(H,26,34)(H,27,30,33)/b31-16+,33-22?;;;3*29-16+,31-20?;/t;;15-;;;;/m..1..../s1.
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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 3681.67 g/mol, XLogP of 21.37, 90 rotatable bonds, 15 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;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 158024509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).