HIT ID: HIT212671936
Cas No: 2091134-35-7
分子式: C26H32FN9O2
分子量: 521.601
常用名: JAK1-IN-4
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 2.9280937
IUPAC: (2R)-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-(3-{5-fluoro-2-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-indol-7-yl)propanamide
IUPAC: (2R)-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-(3-{5-fluoro-2-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-indol-7-yl)propanamide
SMILES: COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12
SMILES: COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12
InChI key: HKMXSVZYKLTDAP-HZPDHXFCSA-N
