F7N

[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium

Created:2018-06-07
Last modified:  2019-01-02

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Chemical Details

Formal Charge1
Atom Count68
Chiral Atom Count4
Bond Count71
Aromatic Bond Count6
2D diagram of F7N
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Chemical Component Summary

Name[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
Systematic Name (OpenEye OEToolkits)[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
FormulaC24 H35 F3 N3 O3
Molecular Weight470.548
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CO[CH]1COCC[CH]1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F
SMILESOpenEye OEToolkits2.0.6CC(C)C1(CCC(C1)[NH2+]C2CCOCC2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3
Canonical SMILESCACTVS3.385 CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3
InChIInChI1.03 InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/p+1/t18-,20+,21-,23+/m1/s1
InChIKeyInChI1.03 MTMDXAIUENDNDL-RJSMDTJLSA-O

Related Resource References

Resource NameReference
PubChem 53316397