主记录
IBT6A
- CAS
- 1022150-12-4
- PubChem CID
- 58223272
- SMILES
- C1C[C@H](CNC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
- 分子式
- C22H22N6O
- 分子量
- 386.459
- 精确分子量
- 386.1855
- InChI
- InChI=1S/C22H22N6O/c23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16/h1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26)/t16-/m1/s1
- InChIKey
- GPSQYTDPBDNDGI-MRXNPFEDSA-N
- LogP
- 3.7923
- TPSA
- 90.88
名称与别名
- 1022150-12-4
- IBT6A
- Btk inhibitor 1 R enantiomer
- (R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- NR6GN4MC2R
- Ibrutinib N-desacryloyl impurity
- UNII-NR6GN4MC2R
- Ibrutinib Impurity 10
- Ibrutinib Impurity 12
- Btk Inhibitor 1 R-Enantiomer
- Ibrutinib Intermediate 1
- RefChem:201210
- C22H22N6O
- MFCD20482137
- orb1309896
- SCHEMBL1614096
- Btk inhibitor 1 (R enantiomer)
- GPSQYTDPBDNDGI-MRXNPFEDSA-N
- AMY19226
- EX-A3594
- 2923AH
- HY-13036A
- MFCD19443124
- ZINC95080215
- AKOS024462875
- ACN-028782
- CS-2435
- DS-7364
- KS-00000S39
- Ibrutinib metabolite PCI-7503 (M23)