| CAS Number | 1578245-44-9 |
| Catalog Number | AG01EONE(AGN-PC-3H46G9) |
| Chemical Name | BOS-172722 |
| IUPAC Name | 8-N-(2,2-dimethylpropyl)-2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine |
| InChI | InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30) |
| InChI Key | SGWLRDAOCLITOM-UHFFFAOYSA-N |
| MDL Number | MFCD31692374 |
| Molecular Formula | C24H30N8O |
| Molecular Weight | 446.5480 |
| SMILES | C(C)OC1=C(C=CC(=C1)C1=NN=CN1C)NC=1N=CC2=C(N1)C(=NC(=C2)C)NCC(C)(C)C |
| Synonyms | BOS-172722,
1578245-44-9,
CHEMBL3924132,
SCHEMBL15515080,
BDBM241338,
BOS172722,
HY-112162,
CS-0043580,
US9409907, 182,
FMW,
~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.254g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 446.559g/mol |
| Monoisotopic Mass | 446.254g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number