885500-16-3
4-AMINO-N-[(2-CHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
Name4-AMINO-N-[(2-CHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
1Identification
【Name】
4-AMINO-N-[(2-CHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE
【CAS】
【MDL】
MFCD13177894
【English Synonyms】
【Formula】
C19 H21 Cl N6 O
【MolWeight】
384.869
【Inchi】
InChI=1S/C19H21ClN6O/c20-15-4-2-1-3-13(15)11-23-18(27)19(21)6-9-26(10-7-19)17-14-5-8-22-16(14)24-12-25-17/h1-5,8,12H,6-7,9-11,21H2,(H,23,27)(H,22,24,25)
【InChIKey】
InChIKey=SJPMUKKGAJXLAH-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
【MOL File】
4-AMINO-N-[(2-CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-N-[(2-CHLOROPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4-PIPERIDINECARBOXAMIDE.cml