主记录
DTXSID101099613
- CAS
- 1472797-69-5
- PubChem CID
- 90052272
- SMILES
- CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#N
- 分子式
- C29H38N8O2
- 分子量
- 530.677
- 精确分子量
- 530.3118
- InChI
- InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m1/s1
- InChIKey
- HJFSVYUFOXAVAA-RSNBEDGSSA-N
- LogP
- 3.1264
- TPSA
- 126.28
名称与别名
- SCHEMBL15584677
- DTXSID101099613
- FF-10101
- J3.736.640D
- 1472797-69-5
- (2E)-N-[(1R)-1-[(5-{2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl}pent-4-yn-1-yl)carbamoyl]ethyl]-4-(dimethylamino)-N-methylbut-2-enamide
- 1472797-95-7
- 2-Butenamide, N-[(1R)-2-[[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)-5-pyrimidinyl]-4-pentyn-1-yl]amino]-1-methyl-2-oxoethyl]-4-(dimethylamino)-N-methyl-, (2E)-