| CAS Number | 1354825-58-3 |
| Catalog Number | AG009CKO(AGN-PC-0WGDEZ) |
| Chemical Name | N-[2-[4-Amino-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-pyridinecarboxamide |
| IUPAC Name | N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide |
| InChI | InChI=1S/C22H23N7O/c1-14-4-6-15(7-5-14)18-17-19(23)26-13-27-20(17)29(28-18)22(2,3)12-25-21(30)16-8-10-24-11-9-16/h4-11,13H,12H2,1-3H3,(H,25,30)(H2,23,26,27) |
| InChI Key | LEBSTCDZKUSVOY-UHFFFAOYSA-N |
| MDL Number | MFCD29472247 |
| Molecular Formula | C22H23N7O |
| Molecular Weight | 401.4643 |
| SMILES | O=C(C1=CC=NC=C1)NCC(C)(N2N=C(C4=CC=C(C)C=C4)C3=C2N=CN=C3N)C |
| Synonyms | WEHI-345,
1354825-58-3,
WEHI345,
SCHEMBL10098386,
BCP23889,
EX-A2484,
AKOS030526445,
ZINC146915487,
CS-5045,
SB19014,
HY-18937,
N-(2-(4-amino-3-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylpropyl)isonicotinamide,
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| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.474g/mol |
| Monoisotopic Mass | 401.196g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number