3P6

(4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide



Chemical Component Summary

Name(4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
Identifiers(4aS,5aR)-N-[1-[(R)-[(2R)-1,1-bis(oxidanylidene)thian-2-yl]-phenyl-methyl]pyrazol-4-yl]-5,5-bis(fluoranyl)-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
FormulaC25 H27 F2 N5 O3 S
Molecular Weight515.575
TypeNON-POLYMER
Isomeric SMILESC[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F
InChIInChI=1S/C25H27F2N5O3S/c1-24-12-18-17(11-20(24)25(24,26)27)21(31-30-18)23(33)29-16-13-28-32(14-16)22(15-7-3-2-4-8-15)19-9-5-6-10-36(19,34)35/h2-4,7-8,13-14,19-20,22H,5-6,9-12H2,1H3,(H,29,33)(H,30,31)/t19-,20+,22-,24-/m1/s1
InChIKeyJNRFIKALOWSUBG-DAVFGYKESA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count4
Bond Count68
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL3426309
PubChem 91754231
ChEMBL CHEMBL3426309