FZB

3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one

Created:2018-08-19
Last modified:  2018-09-26

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count3
Bond Count47
Aromatic Bond Count6
2D diagram of FZB

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Chemical Component Summary

Name3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)3-methyl-8-[[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1~{H}-1,7-naphthyridin-2-one
FormulaC17 H22 N4 O
Molecular Weight298.383
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O)Nc34
SMILESOpenEye OEToolkits2.0.6CC1=Cc2ccnc(c2NC1=O)NC3CC4CCC(C3)N4C
Canonical SMILESCACTVS3.385 CN1[C@@H]2CC[C@H]1C[C@@H](C2)Nc3nccc4C=C(C)C(=O)Nc34
Canonical SMILESOpenEye OEToolkits2.0.6 CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C
InChIInChI1.03 InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12-,13-,14+
InChIKeyInChI1.03 HBGWEOSHQILMON-ZSOGYDGISA-N