CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC=CC(=C4)C(=O)NCC5=CC(=C(C=C5)Cl)C6=CC=CC(=C6)C=O
Nombre: 1-N-[[4-chloro-3-(3-formylphenyl)phenyl]methyl]-3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,3-dicarboxamide
SMILES: CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC=CC(=C4)C(=O)NCC5=CC(=C(C=C5)Cl)C6=CC=CC(=C6)C=O

Molecular Processing

Molecular formula
C38H39ClN6O4
Molecular weight
679.22
Exact mass
678.2721
XLogP
6.6
TPSA
127.24
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
49
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.289
Molar refractivity
191.1

Supplementary Information

InChIKey: PORCDAWCLQNERA-UHFFFAOYSA-N
Sinónimos
SCHEMBL1363482PORCDAWCLQNERA-UHFFFAOYSA-NN-[(6-Chloro-3'-formyl-3-biphenylyl)methyl]-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide
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