C=CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C4=C5C=CNC5=NC=C4
الاسم: 1-phenyl-3-[4-[1-prop-2-enyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
SMILES: C=CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C4=C5C=CNC5=NC=C4

Molecular Processing

Molecular formula
C26H22N6O
Molecular weight
434.5
Exact mass
434.1855
XLogP
5.92
TPSA
87.63
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.038
Molar refractivity
132.03

Supplementary Information

InChIKey: MATJAJVVSQIZRF-UHFFFAOYSA-N
مرادفات
SCHEMBL4318078MATJAJVVSQIZRF-UHFFFAOYSA-NN-phenyl-N'-{4-[1-(2-propen-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}urea
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