CID 23646008
Chemical Structure Depiction
(3Z)-6-(1,2-dihydrotriazol-3-yl)-3-[5-(piperidin-1-ylmethyl)indol-2-ylidene]indazole
InChI=1S/C23H23N7/c1-2-9-29(10-3-1)15-16-4-7-20-17(12-16)13-22(25-20)23-19-6-5-18(14-21(19)26-27-23)30-11-8-24-28-30/h4-8,11-14,24,28H,1-3,9-10,15H2/b23-22-
NHKVYYCGKPFKOW-FCQUAONHSA-N
Isomeric SMILES
C1CCN(CC1)CC2=CC3=C/C(=C/4\C5=C(C=C(C=C5)N6C=CNN6)N=N4)/N=C3C=C2
C23H23N7
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Property Value
Reference
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Molecular Weight
Property Value
397.5 g/mol
Property Name
XLogP3-AA
Property Value
4
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Hydrogen Bond Donor Count
Property Value
2
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Hydrogen Bond Acceptor Count
Property Value
7
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Rotatable Bond Count
Property Value
3
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Exact Mass
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397.20149376 g/mol
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Monoisotopic Mass
Property Value
397.20149376 g/mol
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Topological Polar Surface Area
Property Value
67.6A^2
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Heavy Atom Count
Property Value
30
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Formal Charge
Property Value
0
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Complexity
Property Value
929
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Isotope Atom Count
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0
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Defined Atom Stereocenter Count
Property Value
0
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Undefined Atom Stereocenter Count
Property Value
0
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Defined Bond Stereocenter Count
Property Value
1
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Undefined Bond Stereocenter Count
Property Value
0
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Covalently-Bonded Unit Count
Property Value
1
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Compound Is Canonicalized
Property Value
Yes
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CONTENTS