63A

1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one


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Chemical Component Summary

Name1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one
SynonymsBound form of 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
Identifiers1-[(3~{R},4~{R})-3-[[2-[(1-methylpyrazol-4-yl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
FormulaC19 H22 F3 N7 O2
Molecular Weight437.419
TypeNON-POLYMER
Isomeric SMILESCCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C
InChIInChI=1S/C19H22F3N7O2/c1-3-15(30)29-7-11(14(9-29)19(20,21)22)10-31-17-13-4-5-23-16(13)26-18(27-17)25-12-6-24-28(2)8-12/h4-6,8,11,14H,3,7,9-10H2,1-2H3,(H2,23,25,26,27)/t11-,14+/m1/s1
InChIKeyCKVDMJWQTVJZKC-RISCZKNCSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count2
Bond Count56
Aromatic Bond Count15

Related Resource References

Resource NameReference
PubChem 137348424