Name: 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILES:
CNC1CCN(CC1)C(=O)CN2C(=CC(=N2)C3=CC=NC=C3)CC4=CC=C(C=C4)FMolecular Processing
Molecular formula
C23H26FN5O
Molecular weight
407.49
Exact mass
407.2121
XLogP
2.89
TPSA
63.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
113.33
Supplementary Information
InChIKey: QBCGTFHZPOKNQX-UHFFFAOYSA-N
Synonyme
SCHEMBL1602970QBCGTFHZPOKNQX-UHFFFAOYSA-N1-{[5-(4-fluorobenzyl)-3-pyridin-4-yl-1H-pyrazol-1-yl]acetyl}-N-methylpiperidin-4-amine
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