Name: N-(4-(3-Amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methoxyacetamide
SMILES:
COCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(C)(N)C3)c12Molecular Processing
Molecular formula
C16H22BrN5O2
Molecular weight
396.29
Exact mass
395.0957
XLogP
2.23
TPSA
96.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
98.34
Supplementary Information
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