Name: 3-[4-[1-ethyl-4-[2-(3-formylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-1,1-dimethylurea
SMILES:
CCn1cc(-c2ccnc3[nH]c(-c4cccc(C=O)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1Molecular Processing
Molecular formula
C28H26N6O2
Molecular weight
478.56
Exact mass
478.2117
XLogP
5.69
TPSA
95.91
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
141.95
Supplementary Information
InChIKey: ATURGVNEKZCIKT-UHFFFAOYSA-N
Synonyme
SCHEMBL4309577ATURGVNEKZCIKT-UHFFFAOYSA-NN'-(4-{1-ethyl-4-[2-(3-formylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethylurea
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