1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide

C153H161F19N52O16 — CID 160718431

IUPAC1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C(C)C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1
InChIInChI=1S/C27H25F4N7O3.C23H26F3N7O2.C23H26F2N8O3.2C21H21F4N7O2.2C19H21FN8O2/c1-32-26(40)25-16-38(37-36-25)15-19(28)5-6-20-7-8-21(35-34-20)13-23(39)14-22-11-18(9-10-33-22)17-3-2-4-24(12-17)41-27(29,30)31;1-15(23(24,25)26)16-8-9-28-19(11-16)13-20(34)12-18-7-6-17(29-30-18)5-3-4-10-33-14-21(31-32-33)22(35)27-2;1-26-22(35)19-14-33(32-30-19)9-3-2-4-15-5-6-20(31-29-15)28-21(34)11-16-10-17(7-8-27-16)36-18-12-23(24,25)13-18;2*1-26-20(34)19-12-32(31-30-19)11-14(22)2-3-15-4-5-16(29-28-15)9-18(33)10-17-8-13(6-7-27-17)21(23,24)25;2*1-21-19(30)16-12-28(27-25-16)11-13(20)5-6-14-7-8-17(26-24-14)23-18(29)10-15-4-2-3-9-22-15/h2-4,7-12,16,19H,5-6,13-15H2,1H3,(H,32,40);6-9,11,14-15H,3-5,10,12-13H2,1-2H3,(H,27,35);5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,35)(H,28,31,34);2*4-8,12,14H,2-3,9-11H2,1H3,(H,26,34);2*2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,21,30)(H,23,26,29)/t19-;;;2*14-;2*13-/m1..1010/s1
InChIKeyRSTWJYPDPDBQSJ-CIOULSSVSA-N
MW3345.28 g/mol
LogP15.07
Rot. Bonds72

About 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide

1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 160718431) has the molecular formula C153H161F19N52O16 and a molecular weight of 3345.28 g/mol. Its IUPAC name is 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID160718431
Molecular FormulaC153H161F19N52O16
Molecular Weight3345.28 g/mol
Exact Mass3343.31
IUPAC Name1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C(C)C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1
InChIInChI=1S/C27H25F4N7O3.C23H26F3N7O2.C23H26F2N8O3.2C21H21F4N7O2.2C19H21FN8O2/c1-32-26(40)25-16-38(37-36-25)15-19(28)5-6-20-7-8-21(35-34-20)13-23(39)14-22-11-18(9-10-33-22)17-3-2-4-24(12-17)41-27(29,30)31;1-15(23(24,25)26)16-8-9-28-19(11-16)13-20(34)12-18-7-6-17(29-30-18)5-3-4-10-33-14-21(31-32-33)22(35)27-2;1-26-22(35)19-14-33(32-30-19)9-3-2-4-15-5-6-20(31-29-15)28-21(34)11-16-10-17(7-8-27-16)36-18-12-23(24,25)13-18;2*1-26-20(34)19-12-32(31-30-19)11-14(22)2-3-15-4-5-16(29-28-15)9-18(33)10-17-8-13(6-7-27-17)21(23,24)25;2*1-21-19(30)16-12-28(27-25-16)11-13(20)5-6-14-7-8-17(26-24-14)23-18(29)10-15-4-2-3-9-22-15/h2-4,7-12,16,19H,5-6,13-15H2,1H3,(H,32,40);6-9,11,14-15H,3-5,10,12-13H2,1-2H3,(H,27,35);5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,35)(H,28,31,34);2*4-8,12,14H,2-3,9-11H2,1H3,(H,26,34);2*2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,21,30)(H,23,26,29)/t19-;;;2*14-;2*13-/m1..1010/s1
InChIKeyRSTWJYPDPDBQSJ-CIOULSSVSA-N
XLogP15.07
TPSA863.40 Ų
H-Bond Donors10
H-Bond Acceptors58
Rotatable Bonds72
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003345.28
LogP ≤ 515.07
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[4-(oxan-4-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-propan-2-yl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 163901176
N-benzyl-1-[4-[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4-methylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide;N-methyl-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 161267769
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118626796
1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 148990259
1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118646433
N-[6-[4-[4-(4-hydroxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
CID 159455395
1-[(2S)-2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 162701159
1-[4-[6-[[2-[4-[cyclopropyl(difluoro)methyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 139460854
N-methyl-1-[4-[6-[[(2S)-2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propanoyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 131999309
1-[(2R)-4-[6-[[2-[4-(cyclopropylmethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118653243
1-[4-[6-[[2-(3-bromophenyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(6-chloro-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-4-[6-[[2-(4-cyclopropyl-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(difluoromethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-3-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(pyridin-2-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 160633777
1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118646439

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 160718431) is 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide is CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C(C)C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(CC(=O)Cc3cc(C(F)(F)F)ccn3)nn2)nn1.CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1.
What is the InChIKey of 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is RSTWJYPDPDBQSJ-CIOULSSVSA-N. The full InChI is InChI=1S/C27H25F4N7O3.C23H26F3N7O2.C23H26F2N8O3.2C21H21F4N7O2.2C19H21FN8O2/c1-32-26(40)25-16-38(37-36-25)15-19(28)5-6-20-7-8-21(35-34-20)13-23(39)14-22-11-18(9-10-33-22)17-3-2-4-24(12-17)41-27(29,30)31;1-15(23(24,25)26)16-8-9-28-19(11-16)13-20(34)12-18-7-6-17(29-30-18)5-3-4-10-33-14-21(31-32-33)22(35)27-2;1-26-22(35)19-14-33(32-30-19)9-3-2-4-15-5-6-20(31-29-15)28-21(34)11-16-10-17(7-8-27-16)36-18-12-23(24,25)13-18;2*1-26-20(34)19-12-32(31-30-19)11-14(22)2-3-15-4-5-16(29-28-15)9-18(33)10-17-8-13(6-7-27-17)21(23,24)25;2*1-21-19(30)16-12-28(27-25-16)11-13(20)5-6-14-7-8-17(26-24-14)23-18(29)10-15-4-2-3-9-22-15/h2-4,7-12,16,19H,5-6,13-15H2,1H3,(H,32,40);6-9,11,14-15H,3-5,10,12-13H2,1-2H3,(H,27,35);5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,35)(H,28,31,34);2*4-8,12,14H,2-3,9-11H2,1H3,(H,26,34);2*2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,21,30)(H,23,26,29)/t19-;;;2*14-;2*13-/m1..1010/s1.
What are the key properties of 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide?
1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 3345.28 g/mol, XLogP of 15.07, 72 rotatable bonds, 10 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]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-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-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-oxo-3-[4-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 160718431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).