COC1=CC=CC(=C1)NC(=O)CN2C=C(C(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)C5=C6C=CNC6=NC=C5
名称: N-(3-methoxyphenyl)-2-[3-[4-(phenylcarbamoylamino)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]acetamide
SMILES: COC1=CC=CC(=C1)NC(=O)CN2C=C(C(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)C5=C6C=CNC6=NC=C5

Molecular Processing

Molecular formula
C32H27N7O3
Molecular weight
557.61
Exact mass
557.2175
XLogP
6.38
TPSA
125.96
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
42
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
163.46

Supplementary Information

InChIKey: SWWXMPDRMZDKTO-UHFFFAOYSA-N
同義語
SCHEMBL4319876SWWXMPDRMZDKTO-UHFFFAOYSA-NN-[3-(methyloxy)phenyl]-2-[3-(4-{[(phenylamino)carbonyl]amino}phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]acetamide
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