이름: N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILES:
C1CN(CC1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)SC(F)(F)Cl)C4=CC=NN4Molecular Processing
Molecular formula
C20H18ClF2N5O2S
Molecular weight
465.91
Exact mass
465.0838
XLogP
4.18
TPSA
94.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
115.71
Supplementary Information
InChIKey: QNCMNHOWAFFDTB-CQSZACIVSA-N
동의어
(R)-N-(4-((Chlorodifluoromethyl)thio)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamideSCHEMBL15388658
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