907181-67-3
4-PIPERIDINECARBOXAMIDE, N-[3-AMINO-5-(4-FLUOROPHENOXY)PHENYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-
Name4-PIPERIDINECARBOXAMIDE, N-[3-AMINO-5-(4-FLUOROPHENOXY)PHENYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-
1Identification
【Name】
4-PIPERIDINECARBOXAMIDE, N-[3-AMINO-5-(4-FLUOROPHENOXY)PHENYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-
【CAS】
【MDL】
MFCD13177882
【English Synonyms】
【Formula】
C24 H23 F N6 O2
【MolWeight】
446.484
【Inchi】
InChI=1S/C24H23FN6O2/c25-16-1-3-19(4-2-16)33-20-12-17(26)11-18(13-20)30-24(32)15-6-9-31(10-7-15)23-21-5-8-27-22(21)28-14-29-23/h1-5,8,11-15H,6-7,9-10,26H2,(H,30,32)(H,27,28,29)
【InChIKey】
InChIKey=MHGYHHWYYPQSNU-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1Oc2cc(cc(c2)NC(=O)C3CCN(CC3)c4c5cc[nH]c5ncn4)N)F
【MOL File】
4-PIPERIDINECARBOXAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PIPERIDINECARBOXAMIDE, N-[3-AMINO-5-(4-FLUOROPHENOXY)PHENYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-.cml