| CAS Number | 1354825-62-9 |
| Catalog Number | AG009CNW(AGN-PC-0WNHCF) |
| Chemical Name | WEHI-345 (analog) |
| IUPAC Name | N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide |
| InChI | InChI=1S/C23H25N7O/c1-14-7-9-16(10-8-14)19-17-20(24)27-13-28-21(17)30(29-19)23(3,4)12-26-22(31)18-15(2)6-5-11-25-18/h5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28) |
| InChI Key | ZCZGSEXBXXYQQC-UHFFFAOYSA-N |
| MDL Number | MFCD19046525 |
| Molecular Formula | C23H25N7O |
| Molecular Weight | 415.4909 |
| SMILES | C1(C(NCC(N2C3C(C(C4=CC=C(C)C=C4)=N2)=C(N)N=CN=3)(C)C)=O)=NC=CC=C1C |
| Synonyms | WEHI-345 analog,
1354825-62-9,
WEHI-345 (analog),
SCHEMBL727021,
AKOS030526446,
ZINC114465229,
CS-5569,
HY-100112,
|
| Complexity | 621 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.501g/mol |
| Monoisotopic Mass | 415.212g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number