trivial
AB-PINACA
systemic
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
'N'-[(1'S')-1-(Aminocarbonyl)-2-methylpropyl]-1-pentyl-1'H'-indazole-3-carboxamide
AB-PINACA
systemic
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
'N'-[(1'S')-1-(Aminocarbonyl)-2-methylpropyl]-1-pentyl-1'H'-indazole-3-carboxamide
Identifiers
InChIKey: GIMHPAQOAAZSHS-HNNXBMFYSA-N
Formula: C18H26N4O2
CAS Registry numbers:
1445752-09-9
Descriptors
Bioavailability-related
Molecular weight: 330.21 DaPartition coefficient: 2.47
H bond donors: 3
H bond acceptors: 6
Rotatable bonds: 9
Molar refractivity: 94.54 J mol-1 K-1
Polar surface area: 90.01 Å2
Generic
Stereocenters: 1Heteroatoms: 6
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 2
Ring-related
Rings: 2Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0