956461-24-8
4-PIPERIDINECARBOXAMIDE, 4-AMINO-N-[(4-CYANOPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-, HYDROCHLORIDE
Name4-PIPERIDINECARBOXAMIDE, 4-AMINO-N-[(4-CYANOPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-, HYDROCHLORIDE
pro_formulaC20 H21 N7 O . Cl H
1Identification
【Name】
4-PIPERIDINECARBOXAMIDE, 4-AMINO-N-[(4-CYANOPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-, HYDROCHLORIDE
【CAS】
【MDL】
MFCD13183587
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H21 N7 O . Cl H
【pro_molWeight】
411.895
【Inchi】
InChI=1S/C20H21N7O.ClH/c21-11-14-1-3-15(4-2-14)12-24-19(28)20(22)6-9-27(10-7-20)18-16-5-8-23-17(16)25-13-26-18;/h1-5,8,13H,6-7,9-10,12,22H2,(H,24,28)(H,23,25,26);1H
【InChIKey】
InChIKey=BXDRZRGFDZFJRS-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)C#N.Cl
【MOL File】
4-PIPERIDINECARBOXAM….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-PIPERIDINECARBOXAMIDE, 4-AMINO-N-[(4-CYANOPHENYL)METHYL]-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-, HYDROCHLORIDE.cml