885500-23-2
4-AMINO-N-[(2,4-DIFLUOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
Name4-AMINO-N-[(2,4-DIFLUOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
1Identification
【Name】
4-AMINO-N-[(2,4-DIFLUOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
【CAS】
【MDL】
MFCD13177887
【English Synonyms】
【Formula】
C19 H20 F2 N6 O
【MolWeight】
386.404
【Inchi】
InChI=1S/C19H20F2N6O/c20-13-2-1-12(15(21)9-13)10-24-18(28)19(22)4-7-27(8-5-19)17-14-3-6-23-16(14)25-11-26-17/h1-3,6,9,11H,4-5,7-8,10,22H2,(H,24,28)(H,23,25,26)
【InChIKey】
InChIKey=UOORROQIATZZSF-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1F)F)CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N
【MOL File】
4-AMINO-N-[(2,4-DIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-N-[(2,4-DIFLUOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE.cml