V5U

(6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide

Created:2023-09-08
Last modified:  2024-01-24

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count2
Bond Count62
Aromatic Bond Count18
2D diagram of V5U

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Chemical Component Summary

Name(6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)3-azanyl-~{N}-[4-[(3~{S},4~{S})-4-azanyl-3-methoxy-piperidin-1-yl]pyridin-3-yl]-6-[3-(trifluoromethyloxy)pyridin-2-yl]pyrazine-2-carboxamide
FormulaC22 H23 F3 N8 O3
Molecular Weight504.465
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)Oc1cccnc1c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)C(C1)OC
SMILESCACTVS3.385CO[CH]1CN(CC[CH]1N)c2ccncc2NC(=O)c3nc(cnc3N)c4ncccc4OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7COC1CN(CCC1N)c2ccncc2NC(=O)c3c(ncc(n3)c4c(cccn4)OC(F)(F)F)N
Canonical SMILESCACTVS3.385 CO[C@@H]1CN(CC[C@@H]1N)c2ccncc2NC(=O)c3nc(cnc3N)c4ncccc4OC(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 CO[C@H]1CN(CC[C@@H]1N)c2ccncc2NC(=O)c3c(ncc(n3)c4c(cccn4)OC(F)(F)F)N
InChIInChI1.06 InChI=1S/C22H23F3N8O3/c1-35-17-11-33(8-5-12(17)26)15-4-7-28-9-13(15)32-21(34)19-20(27)30-10-14(31-19)18-16(3-2-6-29-18)36-22(23,24)25/h2-4,6-7,9-10,12,17H,5,8,11,26H2,1H3,(H2,27,30)(H,32,34)/t12-,17+/m0/s1
InChIKeyInChI1.06 FEFAAFLIBQXOAO-YVEFUNNKSA-N

Related Resource References

Resource NameReference
PubChem 169552826