Nom: 6-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILES:
CN1C(=NC2=CN=C(C=C2C1=O)Cl)C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5Molecular Processing
Molecular formula
C23H25ClN4O2
Molecular weight
424.93
Exact mass
424.1666
XLogP
4.04
TPSA
60.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
118.09
Supplementary Information
InChIKey: OIADGJBKMKEFQJ-UHFFFAOYSA-N
Synonymes
SCHEMBL2004507OIADGJBKMKEFQJ-UHFFFAOYSA-N6-Chloro-2-{4-[(1-cyclobutylpiperidin-4-yl)oxy]phenyl}-3-methylpyrido[3,4-d]pyrimidin-4(3H)-one
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