HAT

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide

Created:2018-12-03
Last modified:  2019-01-23

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count68
Aromatic Bond Count27
2D diagram of HAT
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Chemical Component Summary

Name3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
FormulaC28 H27 N7 O
Molecular Weight477.56
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1CC[CH](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5
SMILESOpenEye OEToolkits2.0.6Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCN(C6)C
Canonical SMILESCACTVS3.385 CN1CC[C@@H](C1)NC(=O)c2ccncc2Nc3cc4nccnc4c(c3)c5ccc6ccn(C)c6c5
Canonical SMILESOpenEye OEToolkits2.0.6 Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C
InChIInChI1.03 InChI=1S/C28H27N7O/c1-34-11-7-20(17-34)33-28(36)22-5-8-29-16-25(22)32-21-14-23(27-24(15-21)30-9-10-31-27)19-4-3-18-6-12-35(2)26(18)13-19/h3-6,8-10,12-16,20,32H,7,11,17H2,1-2H3,(H,33,36)/t20-/m0/s1
InChIKeyInChI1.03 JQYNBBAXGSXALE-FQEVSTJZSA-N

Related Resource References

Resource NameReference
PubChem 137319650