N-[[(3S)-3-AMINO-1-(5-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3-PYRROLIDINYL]METHYL]-2,4-DIFLUORO-BENZAMIDE

CAS No.
1004990-28-6
CCD No.
CCD01273501
Formula
C20 H22 F2 N6 O
MolWeight
400.431

Basic Information

Product Name: N-[[(3S)-3-AMINO-1-(5-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3-PYRROLIDINYL]METHYL]-2,4-DIFLUORO-BENZAMIDE
CAS: 1004990-28-6
English Synonyms: BENZAMIDE, N-[[(3S)-3-AMINO-1-(5-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3-PYRROLIDINYL]METHYL]-2,4-DIFLUORO- ; N-[[(3S)-3-AMINO-1-(5-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3-PYRROLIDINYL]METHYL]-2,4-DIFLUORO-BENZAMIDE
MDL Number.: MFCD11846250
H bond acceptor: 7
H bond donor: 3
Smile: CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N
InChi: InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChiKey: InChIKey=MOZRQQTUYAYCQT-FQEVSTJZSA-N

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