Nombre: [4-(1-ethyl-4-{2-[4-(4-morpholinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]amine
SMILES:
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c(-c2ccc(N)cc2)n1Molecular Processing
Molecular formula
C29H30N6O
Molecular weight
478.6
Exact mass
478.2481
XLogP
5.19
TPSA
84.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
144.37
Supplementary Information
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