7TA

N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

Created:2016-12-05
Last modified:  2017-06-28

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count58
Aromatic Bond Count16
2D diagram of 7TA

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Chemical Component Summary

NameN-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl]pyrrolo[3,4-c]pyridine-2-carboxamide
FormulaC23 H26 N4 O2
Molecular Weight390.478
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(n2cc1c(ccnc1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)C)cc4
SMILESCACTVS3.385CC(C)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccncc4c3)cc2
SMILESOpenEye OEToolkits2.0.6CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3
Canonical SMILESCACTVS3.385 CC(C)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccncc4c3)cc2
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3
InChIInChI1.03 InChI=1S/C23H26N4O2/c1-16(2)22(28)26-11-8-18(9-12-26)17-3-5-21(6-4-17)25-23(29)27-14-19-7-10-24-13-20(19)15-27/h3-7,10,13-16,18H,8-9,11-12H2,1-2H3,(H,25,29)
InChIKeyInChI1.03 UXDAQOSAZJARDY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 129010129