| CAS Number | 1616413-96-7 |
| Catalog Number | AG01FSIR(AGN-PC-3H6076) |
| Chemical Name | UCB9608 |
| IUPAC Name | (3S)-4-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide |
| InChI | InChI=1S/C20H26N8O2/c1-12-9-14(30-4)5-6-16(12)23-20(29)27-7-8-28(13(2)11-27)18-15-10-22-26(3)17(15)24-19(21)25-18/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,29)(H2,21,24,25)/t13-/m0/s1 |
| InChI Key | WRONAJQPZWDYAR-ZDUSSCGKSA-N |
| MDL Number | MFCD01744844 |
| Molecular Formula | C20H26N8O2 |
| Molecular Weight | 410.4728 |
| SMILES | N1(C(NC2=CC=C(OC)C=C2C)=O)CCN(C2N=C(N)N=C3N(C)N=CC3=2)[C@@H](C)C1 |
| Synonyms | UCB9608,
(3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide,
1616413-96-7,
SCHEMBL17889470,
BCP29663,
UCB-9608; UCB 9608,
HY-112613,
CS-0047698,
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide,
EMW,
|
| Complexity | 609 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.217872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.5g/mol |
| Monoisotopic Mass | 410.217872g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 114Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number