GQ8

1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide

Created: 2018-10-02
Last modified:  2018-10-17

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count62
Aromatic Bond Count20
2D diagram of GQ8
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Chemical Component Summary

Name1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
FormulaC24 H26 N6 O
Molecular Weight414.503
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2
SMILESOpenEye OEToolkits2.0.6CC1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6
Canonical SMILESCACTVS3.385 C[C@H]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6
InChIInChI1.03 InChI=1S/C24H26N6O/c1-15-3-2-10-29(15)14-23-27-20-8-5-18(12-21(20)28-23)26-24(31)16-4-9-22-17(11-16)13-25-30(22)19-6-7-19/h4-5,8-9,11-13,15,19H,2-3,6-7,10,14H2,1H3,(H,26,31)(H,27,28)/t15-/m0/s1
InChIKeyInChI1.03 FTNYJPRHIRILOI-HNNXBMFYSA-N

Related Resource References

Resource NameReference
PubChem 134820947