VX0

(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide

Created: 2023-08-31
Last modified:  2023-10-25

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count2
Bond Count52
Aromatic Bond Count11
2D diagram of VX0
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Chemical Component Summary

Name(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide
Systematic Name (OpenEye OEToolkits)(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide
FormulaC19 H20 F3 N5 O2
Molecular Weight407.39
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[CH]1[CH](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4
SMILESOpenEye OEToolkits2.0.7CC1C(N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C
Canonical SMILESCACTVS3.385 C[C@H]1[C@@H](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H]1[C@@H](N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C
InChIInChI1.06 InChI=1S/C19H20F3N5O2/c1-10-11(2)27-16(15(8-23-27)25-5-3-4-17(25)28)9-26(10)19(29)24-12-6-13(20)18(22)14(21)7-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,24,29)
InChIKeyInChI1.06 SUOFMBIUXLAFSN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 121484189