| CAS Number | 1393845-82-3 |
| Catalog Number | AG00ISN1(AGN-PC-0WAZNY) |
| Chemical Name | 6-bromo-1-cyclopentyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one |
| IUPAC Name | 6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one |
| InChI | InChI=1S/C11H12BrN3O/c12-7-5-9-10(13-6-7)14-11(16)15(9)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14,16) |
| InChI Key | ZVWUCCKPQWUUHF-UHFFFAOYSA-N |
| MDL Number | MFCD22383941 |
| Molecular Formula | C11H12BrN3O |
| Molecular Weight | 282.1365 |
| SMILES | [Br]C1(=CN=C2(NC(N(C2(=C1))C3(CCCC3))=O)) |
| Synonyms | 6-bromo-1-cyclopentyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one,
1393845-82-3,
KS-000025IG,
ZX-RL000519,
MFCD22383941,
ZINC76818181,
AKOS015996947,
GG-0019,
MCULE-3269164976,
OR303006,
6-bromo-1-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-one,
2-amino-N-methyl-2-phenylacetamide,
93782-07-1,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.141g/mol |
| Monoisotopic Mass | 281.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number