8Q7

9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one


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Chemical Component Summary

Name9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
Identifiers13-[(1~{S})-2,2-bis(fluoranyl)cyclopropyl]carbonyl-8-[(4-methoxyphenyl)methyl]-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2,4,11(16)-tetraen-7-one
FormulaC22 H19 F2 N5 O3 S
Molecular Weight471.48
TypeNON-POLYMER
Isomeric SMILESCOc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O
InChIInChI=1S/C22H19F2N5O3S/c1-32-13-4-2-12(3-5-13)9-28-20-17(18-25-11-26-29(18)21(28)31)14-6-7-27(10-16(14)33-20)19(30)15-8-22(15,23)24/h2-5,11,15H,6-10H2,1H3/t15-/m0/s1
InChIKeyPRDXEDQLSDAYKR-HNNXBMFYSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count57
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 126842986