1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C158H178F15N59O13S2 — CID 158864484

IUPAC1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCN1CCC(Cn2cc(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1.CNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)s1.Cc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)Cc4ccccn4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCc3cn(CC4CCN(C)CC4)nn3)nn2)c1.O=C(Cc1ccccn1)Nc1cn(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.C24H26FN9O2.C24H34N8O.C23H21F4N9O2S.C22H24N10O2.C21H22F4N8O2.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;1-17-5-4-6-18(11-17)13-27-24(36)21-15-33(31-29-21)10-8-19(25)14-34-16-22(30-32-34)28-23(35)12-20-7-2-3-9-26-20;1-19-6-5-7-21(14-19)15-25-24(33)23-18-31(29-27-23)11-4-3-8-22-17-32(28-26-22)16-20-9-12-30(2)13-10-20;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(13-17-7-1-3-9-23-17)26-20-16-32(30-28-20)12-6-5-11-31-15-19(27-29-31)22(34)25-14-18-8-2-4-10-24-18;1-12-7-13(21(23,24)25)8-16(27-12)9-19(34)28-18-6-5-15(29-31-18)4-3-14(22)10-33-11-17(30-32-33)20(35)26-2;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);2-7,9,11,15-16,19H,8,10,12-14H2,1H3,(H,27,36)(H,28,35);5-7,14,17-18,20H,3-4,8-13,15-16H2,1-2H3,(H,25,33);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);1-4,7-10,15-16H,5-6,11-14H2,(H,25,34)(H,26,33);5-8,11,14H,3-4,9-10H2,1-2H3,(H,26,35)(H,28,31,34);6-10H,2-5,11H2,1H3,(H,24,32)(H,26,28,31)/t;;;15-;;14-;/m...1.1./s1
InChIKeyJBBDYCSKZOVBTN-WRXXBCNDSA-N
MW3460.67 g/mol
LogP17.07
Rot. Bonds72

About 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 158864484) has the molecular formula C158H178F15N59O13S2 and a molecular weight of 3460.67 g/mol. Its IUPAC name is 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID158864484
Molecular FormulaC158H178F15N59O13S2
Molecular Weight3460.67 g/mol
Exact Mass3458.43
IUPAC Name1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCN1CCC(Cn2cc(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1.CNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)s1.Cc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)Cc4ccccn4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCc3cn(CC4CCN(C)CC4)nn3)nn2)c1.O=C(Cc1ccccn1)Nc1cn(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.C24H26FN9O2.C24H34N8O.C23H21F4N9O2S.C22H24N10O2.C21H22F4N8O2.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;1-17-5-4-6-18(11-17)13-27-24(36)21-15-33(31-29-21)10-8-19(25)14-34-16-22(30-32-34)28-23(35)12-20-7-2-3-9-26-20;1-19-6-5-7-21(14-19)15-25-24(33)23-18-31(29-27-23)11-4-3-8-22-17-32(28-26-22)16-20-9-12-30(2)13-10-20;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(13-17-7-1-3-9-23-17)26-20-16-32(30-28-20)12-6-5-11-31-15-19(27-29-31)22(34)25-14-18-8-2-4-10-24-18;1-12-7-13(21(23,24)25)8-16(27-12)9-19(34)28-18-6-5-15(29-31-18)4-3-14(22)10-33-11-17(30-32-33)20(35)26-2;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);2-7,9,11,15-16,19H,8,10,12-14H2,1H3,(H,27,36)(H,28,35);5-7,14,17-18,20H,3-4,8-13,15-16H2,1-2H3,(H,25,33);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);1-4,7-10,15-16H,5-6,11-14H2,(H,25,34)(H,26,33);5-8,11,14H,3-4,9-10H2,1-2H3,(H,26,35)(H,28,31,34);6-10H,2-5,11H2,1H3,(H,24,32)(H,26,28,31)/t;;;15-;;14-;/m...1.1./s1
InChIKeyJBBDYCSKZOVBTN-WRXXBCNDSA-N
XLogP17.07
TPSA865.36 Ų
H-Bond Donors12
H-Bond Acceptors62
Rotatable Bonds72
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003460.67
LogP ≤ 517.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide with MolForge

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Related Compounds

US10344025, Example 513
CID 118640998
1-[2-fluoro-4-[6-[[2-[4-[3-[3-[4-[2-[[6-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]-3-oxopiperazin-1-yl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)phenyl]pyridin-2-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 132093820
1-[4-[4-[[2-[5-[2-[2-[[1-[2-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]triazol-4-yl]amino]-2-oxoethyl]pyridin-4-yl]pyridin-2-yl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 138574717
N-[6-[4-[5-[[2-[3-[[3-[2-oxo-2-[[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]amino]ethyl]-5-(trifluoromethoxy)phenyl]methyl]pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 145016466
N-[6-[4-[5-[[2-[3-[3-[2-oxo-2-[[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]amino]ethyl]-5-(trifluoromethoxy)phenyl]pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 145016467
N-[6-[4-[5-[[2-[3-[(1S)-2-[3-[2-oxo-2-[[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]amino]ethyl]-5-(trifluoromethoxy)phenyl]cyclopropyl]pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 145016468
N-[6-[4-[5-[[2-[3-[(1S)-2-[[3-[2-oxo-2-[[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]amino]ethyl]-5-(trifluoromethoxy)phenyl]methyl]cyclopropyl]pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 145016470
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-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 157151144
tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]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-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157244886
N-benzyl-1-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]triazole-4-carboxamide;methane;N-methyl-1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[4-(2-methylsulfonylethyl)triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;5-[4-[6-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyridazin-3-yl]butyl]-N-propyl-1,3,4-thiadiazole-2-carboxamide;N-propyl-5-[4-[4-[3-[3-(trifluoromethyl)phenyl]propanoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
CID 157250581
5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 157274537

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 158864484) is 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CN1CCC(Cn2cc(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(C(F)(F)F)cc(C)n3)nn2)nn1.CNC(=O)c1nnc(CCCCc2ccc(NC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)s1.Cc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)Cc4ccccn4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCc3cn(CC4CCN(C)CC4)nn3)nn2)c1.O=C(Cc1ccccn1)Nc1cn(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-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is JBBDYCSKZOVBTN-WRXXBCNDSA-N. The full InChI is InChI=1S/C24H31F3N8O2.C24H26FN9O2.C24H34N8O.C23H21F4N9O2S.C22H24N10O2.C21H22F4N8O2.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;1-17-5-4-6-18(11-17)13-27-24(36)21-15-33(31-29-21)10-8-19(25)14-34-16-22(30-32-34)28-23(35)12-20-7-2-3-9-26-20;1-19-6-5-7-21(14-19)15-25-24(33)23-18-31(29-27-23)11-4-3-8-22-17-32(28-26-22)16-20-9-12-30(2)13-10-20;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(13-17-7-1-3-9-23-17)26-20-16-32(30-28-20)12-6-5-11-31-15-19(27-29-31)22(34)25-14-18-8-2-4-10-24-18;1-12-7-13(21(23,24)25)8-16(27-12)9-19(34)28-18-6-5-15(29-31-18)4-3-14(22)10-33-11-17(30-32-33)20(35)26-2;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);2-7,9,11,15-16,19H,8,10,12-14H2,1H3,(H,27,36)(H,28,35);5-7,14,17-18,20H,3-4,8-13,15-16H2,1-2H3,(H,25,33);1-3,6-9,13,15H,4-5,10-12H2,(H,30,38)(H,31,34,37);1-4,7-10,15-16H,5-6,11-14H2,(H,25,34)(H,26,33);5-8,11,14H,3-4,9-10H2,1-2H3,(H,26,35)(H,28,31,34);6-10H,2-5,11H2,1H3,(H,24,32)(H,26,28,31)/t;;;15-;;14-;/m...1.1./s1.
What are the key properties of 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 3460.67 g/mol, XLogP of 17.07, 72 rotatable bonds, 12 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;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-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[(3-methylphenyl)methyl]-1-[4-[1-[(1-methylpiperidin-4-yl)methyl]triazol-4-yl]butyl]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-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 158864484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).