BQJ

2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one


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Chemical Component Summary

Name2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
Identifiers2-[1-[2-(dimethylamino)ethanoyl]piperidin-4-yl]-1-[3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-1-propyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone
FormulaC34 H49 F3 N6 O2 S
Molecular Weight662.852
TypeNON-POLYMER
Isomeric SMILESCCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C
InChIInChI=1S/C34H49F3N6O2S/c1-4-13-43-29-12-18-42(31(44)21-25-10-16-41(17-11-25)32(45)24-39(2)3)23-27(29)33(38-43)26-8-9-28(34(35,36)37)30(22-26)46-20-19-40-14-6-5-7-15-40/h8-9,22,25H,4-7,10-21,23-24H2,1-3H3
InChIKeyNUSUQUBVOSMEDW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count95
Chiral Atom Count0
Bond Count99
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 131953436