CC1CCCN(C1CN)C(=O)C2=C(C=CC(=C2)C)C3=CN(N=C3)C
名称: [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]methanone
SMILES: CC1CCCN(C1CN)C(=O)C2=C(C=CC(=C2)C)C3=CN(N=C3)C

Molecular Processing

Molecular formula
C19H26N4O
Molecular weight
326.44
Exact mass
326.2107
XLogP
2.59
TPSA
64.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
95.66

Supplementary Information

InChIKey: AGALCUUYPCBBGK-RDTXWAMCSA-N
同義語
SCHEMBL16277930AGALCUUYPCBBGK-RDTXWAMCSA-N((2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl) (5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone((2S,3R)-2-(Aminomethyl)-3-methylpiperidin-1-yl)(5-methyl-2-(1-methyl-1H-pyrazol-4-yl)phenyl)methanone
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