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STOCK4S-63935,ZINC02235499, N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4

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摘 要:STOCK4S-63935,ZINC02235499, N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pentanamide,Canonical SMILES: CCCCC(=O)NC1=NN(C2=C1C=C3C=C(C=CC3=N2)C)CC(C)C,InChI: InChI=1/C20H26N4O/c1-5-6-7-18(25)22-19-16-11-15-10-14(4)8-9-17(15)21-20,(16)24(
[Synonyms]
STOCK4S-63935
ZINC02235499

[Structure]
STOCK4S-63935,ZINC02235499, N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4

[ Properties Computed from Structure]
Molecular Weight338.44664 [g/mol]
Molecular FormulaC20H26N4O
XLogP5.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count3
Exact Mass338.210661
MonoIsotopic Mass338.210661
Topological Polar Surface Area59.8
Heavy Atom Count25
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pentanamide
Canonical SMILES: CCCCC(=O)NC1=NN(C2=C1C=C3C=C(C=CC3=N2)C)CC(C)C
InChI: InChI=1/C20H26N4O/c1-5-6-7-18(25)22-19-16-11-15-10-14(4)8-9-17(15)21-20
(16)24(23-19)12-13(2)3/h8-11,13H,5-7,12H2,1-4H3,(H,22,23,25)/f/h22H

 
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