1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C132H163BrF6N42O16 — CID 158095004

About 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 158095004) has the molecular formula C132H163BrF6N42O16 and a molecular weight of 2787.93 g/mol. Its IUPAC name is 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
• PubChem CID: 158095004
• Molecular Formula: C132H163BrF6N42O16
• Molecular Weight: 2787.93 g/mol
• Exact Mass: 2785.23
• IUPAC Name: 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
• SMILES: CC(C)(C)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCOCC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cncc(Br)c3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCC3COC3)nn2)nn1
• InChI: InChI=1S/C26H31F3N6O3.C25H31N7O2.C24H26F3N7O4.C19H21BrN8O2.C19H27N7O3.C19H27N7O2/c1-25(2,3)13-12-22(36)21-17-35(34-32-21)14-5-4-8-19-10-11-23(33-31-19)30-24(37)16-18-7-6-9-20(15-18)38-26(27,28)29;1-26-25(34)24-18-32(30-29-24)14-3-2-8-20-10-11-21(28-27-20)17-23(33)16-19-7-6-9-22(15-19)31-12-4-5-13-31;25-24(26,27)38-19-6-3-4-16(10-19)11-22(35)29-21-8-7-18(30-32-21)5-1-2-9-34-13-20(31-33-34)23(36)28-12-17-14-37-15-17;1-21-19(30)16-12-28(27-25-16)7-3-2-4-15-5-6-17(26-24-15)23-18(29)9-13-8-14(20)11-22-10-13;1-20-19(28)16-13-26(25-23-16)9-3-2-4-15-5-6-17(24-22-15)21-18(27)12-14-7-10-29-11-8-14;1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14/h6-7,9-11,15,17H,4-5,8,12-14,16H2,1-3H3,(H,30,33,37);6-7,9-11,15,18H,2-5,8,12-14,16-17H2,1H3,(H,26,34);3-4,6-8,10,13,17H,1-2,5,9,11-12,14-15H2,(H,28,36)(H,29,32,35);5-6,8,10-12H,2-4,7,9H2,1H3,(H,21,30)(H,23,26,29);5-6,13-14H,2-4,7-12H2,1H3,(H,20,28)(H,21,24,27);9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27)
• InChIKey: FOOGNCYKYUBYMQ-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 717.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 62
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.93
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

The IUPAC name of 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 158095004) is 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

What is the SMILES notation for 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

The canonical SMILES for 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is CC(C)(C)CCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCOCC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cncc(Br)c3)nn2)nn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCn2cc(C(=O)NCC3COC3)nn2)nn1.

What is the InChIKey of 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

The InChIKey is FOOGNCYKYUBYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O3.C25H31N7O2.C24H26F3N7O4.C19H21BrN8O2.C19H27N7O3.C19H27N7O2/c1-25(2,3)13-12-22(36)21-17-35(34-32-21)14-5-4-8-19-10-11-23(33-31-19)30-24(37)16-18-7-6-9-20(15-18)38-26(27,28)29;1-26-25(34)24-18-32(30-29-24)14-3-2-8-20-10-11-21(28-27-20)17-23(33)16-19-7-6-9-22(15-19)31-12-4-5-13-31;25-24(26,27)38-19-6-3-4-16(10-19)11-22(35)29-21-8-7-18(30-32-21)5-1-2-9-34-13-20(31-33-34)23(36)28-12-17-14-37-15-17;1-21-19(30)16-12-28(27-25-16)7-3-2-4-15-5-6-17(26-24-15)23-18(29)9-13-8-14(20)11-22-10-13;1-20-19(28)16-13-26(25-23-16)9-3-2-4-15-5-6-17(24-22-15)21-18(27)12-14-7-10-29-11-8-14;1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14/h6-7,9-11,15,17H,4-5,8,12-14,16H2,1-3H3,(H,30,33,37);6-7,9-11,15,18H,2-5,8,12-14,16-17H2,1H3,(H,26,34);3-4,6-8,10,13,17H,1-2,5,9,11-12,14-15H2,(H,28,36)(H,29,32,35);5-6,8,10-12H,2-4,7,9H2,1H3,(H,21,30)(H,23,26,29);5-6,13-14H,2-4,7-12H2,1H3,(H,20,28)(H,21,24,27);9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27).

What are the key properties of 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?

1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 2787.93 g/mol, XLogP of 15.10, 62 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[[2-(5-bromo-3-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 158095004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).