이름: 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide hydrochloride
SMILES:
COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F.ClMolecular Processing
Molecular formula
C25H30ClFN4O3
Molecular weight
488.99
Exact mass
488.199
XLogP
4.38
TPSA
88.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
131.6
Supplementary Information
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