1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C135H148F14N48O13S2 — CID 158420157

IUPAC1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCCC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1.CN1CCC(Cn2cc(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1.CNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)s1.O=C(Cc1ccccn1)Cc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.O=C(Cc1ccccn1)Nc1nnc(CC[C@@H](F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)s1
InChIInChI=1S/C24H31F3N8O2.C23H21F4N9O2S.C23H25N9O2.C23H28N8O3.C22H23F4N7O2.C20H20F3N7O2S/c1-33-11-8-18(9-12-33)15-35-16-20(29-31-35)6-2-3-10-34-17-22(30-32-34)23(36)28-14-19-5-4-7-21(13-19)37-24(25,26)27;24-15(4-5-20-33-34-22(39-20)31-19(37)10-16-3-1-2-7-28-16)12-36-13-18(32-35-36)21(38)30-11-17-9-14(6-8-29-17)23(25,26)27;33-21(13-18-7-1-3-9-24-18)14-20-16-31(29-27-20)11-5-6-12-32-17-22(28-30-32)23(34)26-15-19-8-2-4-10-25-19;1-24-23(33)20-15-31(30-28-20)12-3-2-5-16-8-9-21(29-27-16)26-22(32)14-17-13-19(10-11-25-17)34-18-6-4-7-18;1-3-19(34)18-12-33(32-30-18)11-15(23)4-5-16-6-7-20(31-29-16)28-21(35)10-17-9-14(22(24,25)26)8-13(2)27-17;1-24-18(32)19-30-29-17(33-19)5-3-2-4-13-6-7-15(28-27-13)26-16(31)11-14-10-12(8-9-25-14)20(21,22)23/h4-5,7,13,16-18H,2-3,6,8-12,14-15H2,1H3,(H,28,36);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);1-4,7-10,16-17H,5-6,11-15H2,(H,26,34);8-11,13,15,18H,2-7,12,14H2,1H3,(H,24,33)(H,26,29,32);6-9,12,15H,3-5,10-11H2,1-2H3,(H,28,31,35);6-10H,2-5,11H2,1H3,(H,24,32)(H,26,28,31)/t;15-;;;15-;/m.1..1./s1
InChIKeyHAJVTCRSXILFGM-DPXXDJGESA-N
MW2981.10 g/mol
LogP15.85
Rot. Bonds64

About 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 158420157) has the molecular formula C135H148F14N48O13S2 and a molecular weight of 2981.10 g/mol. Its IUPAC name is 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID158420157
Molecular FormulaC135H148F14N48O13S2
Molecular Weight2981.10 g/mol
Exact Mass2979.16
IUPAC Name1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCCC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1.CN1CCC(Cn2cc(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1.CNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)s1.O=C(Cc1ccccn1)Cc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.O=C(Cc1ccccn1)Nc1nnc(CC[C@@H](F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)s1
InChIInChI=1S/C24H31F3N8O2.C23H21F4N9O2S.C23H25N9O2.C23H28N8O3.C22H23F4N7O2.C20H20F3N7O2S/c1-33-11-8-18(9-12-33)15-35-16-20(29-31-35)6-2-3-10-34-17-22(30-32-34)23(36)28-14-19-5-4-7-21(13-19)37-24(25,26)27;24-15(4-5-20-33-34-22(39-20)31-19(37)10-16-3-1-2-7-28-16)12-36-13-18(32-35-36)21(38)30-11-17-9-14(6-8-29-17)23(25,26)27;33-21(13-18-7-1-3-9-24-18)14-20-16-31(29-27-20)11-5-6-12-32-17-22(28-30-32)23(34)26-15-19-8-2-4-10-25-19;1-24-23(33)20-15-31(30-28-20)12-3-2-5-16-8-9-21(29-27-16)26-22(32)14-17-13-19(10-11-25-17)34-18-6-4-7-18;1-3-19(34)18-12-33(32-30-18)11-15(23)4-5-16-6-7-20(31-29-16)28-21(35)10-17-9-14(22(24,25)26)8-13(2)27-17;1-24-18(32)19-30-29-17(33-19)5-3-2-4-13-6-7-15(28-27-13)26-16(31)11-14-10-12(8-9-25-14)20(21,22)23/h4-5,7,13,16-18H,2-3,6,8-12,14-15H2,1H3,(H,28,36);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);1-4,7-10,16-17H,5-6,11-15H2,(H,26,34);8-11,13,15,18H,2-7,12,14H2,1H3,(H,24,33)(H,26,29,32);6-9,12,15H,3-5,10-11H2,1-2H3,(H,28,31,35);6-10H,2-5,11H2,1H3,(H,24,32)(H,26,28,31)/t;15-;;;15-;/m.1..1./s1
InChIKeyHAJVTCRSXILFGM-DPXXDJGESA-N
XLogP15.85
TPSA751.84 Ų
H-Bond Donors9
H-Bond Acceptors54
Rotatable Bonds64
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002981.10
LogP ≤ 515.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1054

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]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide with MolForge

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Related Compounds

1-[4-[6-[[2-[4-[2-[[[1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxypyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carbonyl]amino]methyl]oxan-4-yl]pyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 146527241
N-benzyl-5-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4,4-dimethylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[5-(4-methylpentanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-(oxetan-3-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-(pyridin-2-ylmethyl)-5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[6-[4-[5-(4-pyrrolidin-1-ylbutanoyl)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 157093780
1-[4-[6-[[2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 157113268
5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 157280014
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-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 157334419
CID 157364747
CID 157364747
1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4-methoxybutanoyl)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;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 157392526
N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 157400028
1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 157438792
lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide
CID 157486663
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[(2-fluoro-5-methylphenyl)methyl]-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 157536729
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-6-methyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;2-(4,6-dimethyl-2-pyridinyl)-N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 157638961

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 158420157) is 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CCC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1.CN1CCC(Cn2cc(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1.CNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)s1.O=C(Cc1ccccn1)Cc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.O=C(Cc1ccccn1)Nc1nnc(CC[C@@H](F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)s1.
What is the InChIKey of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is HAJVTCRSXILFGM-DPXXDJGESA-N. The full InChI is InChI=1S/C24H31F3N8O2.C23H21F4N9O2S.C23H25N9O2.C23H28N8O3.C22H23F4N7O2.C20H20F3N7O2S/c1-33-11-8-18(9-12-33)15-35-16-20(29-31-35)6-2-3-10-34-17-22(30-32-34)23(36)28-14-19-5-4-7-21(13-19)37-24(25,26)27;24-15(4-5-20-33-34-22(39-20)31-19(37)10-16-3-1-2-7-28-16)12-36-13-18(32-35-36)21(38)30-11-17-9-14(6-8-29-17)23(25,26)27;33-21(13-18-7-1-3-9-24-18)14-20-16-31(29-27-20)11-5-6-12-32-17-22(28-30-32)23(34)26-15-19-8-2-4-10-25-19;1-24-23(33)20-15-31(30-28-20)12-3-2-5-16-8-9-21(29-27-16)26-22(32)14-17-13-19(10-11-25-17)34-18-6-4-7-18;1-3-19(34)18-12-33(32-30-18)11-15(23)4-5-16-6-7-20(31-29-16)28-21(35)10-17-9-14(22(24,25)26)8-13(2)27-17;1-24-18(32)19-30-29-17(33-19)5-3-2-4-13-6-7-15(28-27-13)26-16(31)11-14-10-12(8-9-25-14)20(21,22)23/h4-5,7,13,16-18H,2-3,6,8-12,14-15H2,1H3,(H,28,36);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);1-4,7-10,16-17H,5-6,11-15H2,(H,26,34);8-11,13,15,18H,2-7,12,14H2,1H3,(H,24,33)(H,26,29,32);6-9,12,15H,3-5,10-11H2,1-2H3,(H,28,31,35);6-10H,2-5,11H2,1H3,(H,24,32)(H,26,28,31)/t;15-;;;15-;/m.1..1./s1.
What are the key properties of 1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 2981.10 g/mol, XLogP of 15.85, 64 rotatable bonds, 9 hydrogen bond donors, and 54 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]butyl]-N-methyltriazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;1-[(2R)-2-fluoro-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;N-methyl-5-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 158420157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).