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6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[3,,2-a]pyr

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摘 要: 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[3,,2-a]pyridin-3-amine,Canonical SMILES: C1CC(OC1)CNC2=C(N=C3N2C=C(C=C3)Br)C4=CN=CC=C4,Isomeric SMILES: C1C[C@H](OC1)CNC2=C(N=C3N2C=C(C=C3)Br)C4=CN=CC=C4,InChI: InChI=1/C17H17BrN4O/c18-13-5-
[Synonyms]

[Structure]
 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[3,,2-a]pyr

[ Properties Computed from Structure]
Molecular Weight373.24708 [g/mol]
Molecular FormulaC17H17BrN4O
XLogP0.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass372.058574
MonoIsotopic Mass372.058574
Topological Polar Surface Area51.5
Heavy Atom Count23
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[3,
2-a]pyridin-3-amine
Canonical SMILES: C1CC(OC1)CNC2=C(N=C3N2C=C(C=C3)Br)C4=CN=CC=C4
Isomeric SMILES: C1C[C@H](OC1)CNC2=C(N=C3N2C=C(C=C3)Br)C4=CN=CC=C4
InChI: InChI=1/C17H17BrN4O/c18-13-5-6-15-21-16(12-3-1-7-19-9-12)17(22(15)11-13)
20-10-14-4-2-8-23-14/h1,3,5-7,9,11,14,20H,2,4,8,10H2/t14-/m0/s1

 
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