| CAS Number | 1642857-69-9 |
| Catalog Number | AG01EOJS(AGN-PC-3H46EG) |
| Chemical Name | TLR7-agonist-1 |
| IUPAC Name | 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine |
| InChI | InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21) |
| InChI Key | FVKOYFLAKSGBBV-UHFFFAOYSA-N |
| MDL Number | MFCD31729282 |
| Molecular Formula | C17H16N6O2 |
| Molecular Weight | 336.3479 |
| SMILES | NC1=NC(OCC2=NOC(C)=C2)=C3C(C=CN3CC4=NC=CC=C4)=N1 |
| Synonyms | 4-((5-methylisoxazol-3-yl)methoxy)-5-(pyridin-2-ylmethyl)-5H-pyrrolo(3,2-d)pyrimidin-2-amine,
TLR7-agonist-1,
1642857-69-9,
TLR7-IN-1,
TLR7 Agonist C54,
CHEMBL4103847,
SCHEMBL16386579,
BCP20863,
EX-A1655,
AKOS032954169,
HY-103039,
CS-0023485,
4-((5-methylisoxazol-3-yl)methoxy)-5-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.355g/mol |
| Monoisotopic Mass | 336.133g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number