N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide

C176H184F24N60O19 — CID 158102591

IUPACN-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
SMILESCC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4cccnc4)nn3)nn2)c1.CC1(F)CCN(CC(=O)Nc2cn(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.Cc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)C4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)nn2)c1.O=C(Cc1cc(OC(F)(F)F)ccc1F)Nc1ccc(CCCCn2cc(C(=O)NCc3ccncc3)nn2)nn1
InChIInChI=1S/2C27H27F3N8O3.C26H24F4N8O3.C25H31F4N9O3.C25H26F3N9O2.C24H23F4N9O3.C22H26F3N9O2/c1-27(29,30)41-21-9-10-22(28)18(14-21)16-32-26(40)23-17-38(37-35-23)13-5-3-6-19-8-11-24(36-34-19)33-25(39)15-20-7-2-4-12-31-20;1-27(29,30)41-21-8-9-22(28)19(14-21)16-32-26(40)23-17-38(37-35-23)12-3-2-6-20-7-10-24(36-34-20)33-25(39)13-18-5-4-11-31-15-18;27-21-6-5-20(41-26(28,29)30)13-18(21)14-24(39)33-23-7-4-19(34-36-23)3-1-2-12-38-16-22(35-37-38)25(40)32-15-17-8-10-31-11-9-17;1-24(26)7-11-36(12-8-24)17-22(39)31-21-16-38(35-33-21)10-3-2-9-37-15-20(32-34-37)23(40)30-14-18-5-4-6-19(13-18)41-25(27,28)29;1-17-5-4-6-18(9-17)12-30-23(38)21-15-36(34-32-21)7-2-3-8-37-16-22(33-35-37)24(39)31-13-19-10-20(14-29-11-19)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;1-14-2-3-18(25)15(6-14)7-26-22(36)19-11-33(30-28-19)5-4-16(23)10-34-12-20(29-31-34)27-21(35)13-32-8-17(24)9-32/h2,4,7-12,14,17H,3,5-6,13,15-16H2,1H3,(H,32,40)(H,33,36,39);4-5,7-11,14-15,17H,2-3,6,12-13,16H2,1H3,(H,32,40)(H,33,36,39);4-11,13,16H,1-3,12,14-15H2,(H,32,40)(H,33,36,39);4-6,13,15-16H,2-3,7-12,14,17H2,1H3,(H,30,40)(H,31,39);4-6,9-11,14-16H,2-3,7-8,12-13H2,1H3,(H,30,38)(H,31,39);2-4,7-8,10,12-15H,5-6,9,11H2,1H3,(H,29,39)(H,31,34,38);2-3,6,11-12,16-17H,4-5,7-10,13H2,1H3,(H,26,36)(H,27,35)/t;;;;;15-;/m.....1./s1
InChIKeyFPLFLMMEABBFCE-DOFCDOPISA-N
MW3899.76 g/mol
LogP20.90
Rot. Bonds83

About N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide

N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide (PubChem CID 158102591) has the molecular formula C176H184F24N60O19 and a molecular weight of 3899.76 g/mol. Its IUPAC name is N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
PubChem CID158102591
Molecular FormulaC176H184F24N60O19
Molecular Weight3899.76 g/mol
Exact Mass3897.49
IUPAC NameN-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
SMILESCC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4cccnc4)nn3)nn2)c1.CC1(F)CCN(CC(=O)Nc2cn(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.Cc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)C4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)nn2)c1.O=C(Cc1cc(OC(F)(F)F)ccc1F)Nc1ccc(CCCCn2cc(C(=O)NCc3ccncc3)nn2)nn1
InChIInChI=1S/2C27H27F3N8O3.C26H24F4N8O3.C25H31F4N9O3.C25H26F3N9O2.C24H23F4N9O3.C22H26F3N9O2/c1-27(29,30)41-21-9-10-22(28)18(14-21)16-32-26(40)23-17-38(37-35-23)13-5-3-6-19-8-11-24(36-34-19)33-25(39)15-20-7-2-4-12-31-20;1-27(29,30)41-21-8-9-22(28)19(14-21)16-32-26(40)23-17-38(37-35-23)12-3-2-6-20-7-10-24(36-34-20)33-25(39)13-18-5-4-11-31-15-18;27-21-6-5-20(41-26(28,29)30)13-18(21)14-24(39)33-23-7-4-19(34-36-23)3-1-2-12-38-16-22(35-37-38)25(40)32-15-17-8-10-31-11-9-17;1-24(26)7-11-36(12-8-24)17-22(39)31-21-16-38(35-33-21)10-3-2-9-37-15-20(32-34-37)23(40)30-14-18-5-4-6-19(13-18)41-25(27,28)29;1-17-5-4-6-18(9-17)12-30-23(38)21-15-36(34-32-21)7-2-3-8-37-16-22(33-35-37)24(39)31-13-19-10-20(14-29-11-19)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;1-14-2-3-18(25)15(6-14)7-26-22(36)19-11-33(30-28-19)5-4-16(23)10-34-12-20(29-31-34)27-21(35)13-32-8-17(24)9-32/h2,4,7-12,14,17H,3,5-6,13,15-16H2,1H3,(H,32,40)(H,33,36,39);4-5,7-11,14-15,17H,2-3,6,12-13,16H2,1H3,(H,32,40)(H,33,36,39);4-11,13,16H,1-3,12,14-15H2,(H,32,40)(H,33,36,39);4-6,13,15-16H,2-3,7-12,14,17H2,1H3,(H,30,40)(H,31,39);4-6,9-11,14-16H,2-3,7-8,12-13H2,1H3,(H,30,38)(H,31,39);2-4,7-8,10,12-15H,5-6,9,11H2,1H3,(H,29,39)(H,31,34,38);2-3,6,11-12,16-17H,4-5,7-10,13H2,1H3,(H,26,36)(H,27,35)/t;;;;;15-;/m.....1./s1
InChIKeyFPLFLMMEABBFCE-DOFCDOPISA-N
XLogP20.90
TPSA939.63 Ų
H-Bond Donors14
H-Bond Acceptors65
Rotatable Bonds83
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003899.76
LogP ≤ 520.90
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

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

Analyze N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
The IUPAC name of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide (CID 158102591) is N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide is CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4cccnc4)nn3)nn2)c1.CC1(F)CCN(CC(=O)Nc2cn(CCCCn3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)nn3)nn2)CC1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.Cc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)C4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)nn2)c1.O=C(Cc1cc(OC(F)(F)F)ccc1F)Nc1ccc(CCCCn2cc(C(=O)NCc3ccncc3)nn2)nn1.
What is the InChIKey of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
The InChIKey is FPLFLMMEABBFCE-DOFCDOPISA-N. The full InChI is InChI=1S/2C27H27F3N8O3.C26H24F4N8O3.C25H31F4N9O3.C25H26F3N9O2.C24H23F4N9O3.C22H26F3N9O2/c1-27(29,30)41-21-9-10-22(28)18(14-21)16-32-26(40)23-17-38(37-35-23)13-5-3-6-19-8-11-24(36-34-19)33-25(39)15-20-7-2-4-12-31-20;1-27(29,30)41-21-8-9-22(28)19(14-21)16-32-26(40)23-17-38(37-35-23)12-3-2-6-20-7-10-24(36-34-20)33-25(39)13-18-5-4-11-31-15-18;27-21-6-5-20(41-26(28,29)30)13-18(21)14-24(39)33-23-7-4-19(34-36-23)3-1-2-12-38-16-22(35-37-38)25(40)32-15-17-8-10-31-11-9-17;1-24(26)7-11-36(12-8-24)17-22(39)31-21-16-38(35-33-21)10-3-2-9-37-15-20(32-34-37)23(40)30-14-18-5-4-6-19(13-18)41-25(27,28)29;1-17-5-4-6-18(9-17)12-30-23(38)21-15-36(34-32-21)7-2-3-8-37-16-22(33-35-37)24(39)31-13-19-10-20(14-29-11-19)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;1-14-2-3-18(25)15(6-14)7-26-22(36)19-11-33(30-28-19)5-4-16(23)10-34-12-20(29-31-34)27-21(35)13-32-8-17(24)9-32/h2,4,7-12,14,17H,3,5-6,13,15-16H2,1H3,(H,32,40)(H,33,36,39);4-5,7-11,14-15,17H,2-3,6,12-13,16H2,1H3,(H,32,40)(H,33,36,39);4-11,13,16H,1-3,12,14-15H2,(H,32,40)(H,33,36,39);4-6,13,15-16H,2-3,7-12,14,17H2,1H3,(H,30,40)(H,31,39);4-6,9-11,14-16H,2-3,7-8,12-13H2,1H3,(H,30,38)(H,31,39);2-4,7-8,10,12-15H,5-6,9,11H2,1H3,(H,29,39)(H,31,34,38);2-3,6,11-12,16-17H,4-5,7-10,13H2,1H3,(H,26,36)(H,27,35)/t;;;;;15-;/m.....1./s1.
What are the key properties of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide has a molecular weight of 3899.76 g/mol, XLogP of 20.90, 83 rotatable bonds, 14 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)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-[(3-methylphenyl)methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 158102591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).