885500-19-6
4-AMINO-N-[[4-(1,1-DIMETHYLETHYL)PHENYL]METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
Name4-AMINO-N-[[4-(1,1-DIMETHYLETHYL)PHENYL]METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
1Identification
【Name】
4-AMINO-N-[[4-(1,1-DIMETHYLETHYL)PHENYL]METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
【CAS】
【MDL】
MFCD13177891
【English Synonyms】
【Formula】
C23 H30 N6 O
【MolWeight】
406.531
【Inchi】
InChI=1S/C23H30N6O/c1-22(2,3)17-6-4-16(5-7-17)14-26-21(30)23(24)9-12-29(13-10-23)20-18-8-11-25-19(18)27-15-28-20/h4-8,11,15H,9-10,12-14,24H2,1-3H3,(H,26,30)(H,25,27,28)
【InChIKey】
InChIKey=DTMJEFNBUJEXCT-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N
【MOL File】
4-AMINO-N-[[4-(1,1-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-N-[[4-(1,1-DIMETHYLETHYL)PHENYL]METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE.cml