| CAS Number | 1216722-25-6 |
| Catalog Number | AG01E07J |
| Chemical Name | BYK191023Dihydrochloride |
| IUPAC Name | 2-[2-(4-methoxypyridin-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine;dihydrochloride |
| InChI | InChI=1S/C14H14N4O.2ClH/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13;;/h2-3,6-9H,4-5H2,1H3,(H,16,17,18);2*1H |
| InChI Key | ZVNITETZYOKESF-UHFFFAOYSA-N |
| MDL Number | MFCD11100187 |
| Molecular Formula | C14H16Cl2N4O |
| Molecular Weight | 327.2090 |
| SMILES | Cl.Cl.COC1=CC(=NC=C1)CCC=1NC=2C(=NC=CC2)N1 |
| Synonyms | BYK 191023 DIHYDROCHLORIDE,
1216722-25-6,
608880-48-4,
BYK191023Dihydrochloride,
BYK191023 dihydrochloride,
SCHEMBL19066010,
AKOS024457317,
RT-011843,
2-[2-(4-Methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine dihydrochloride,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.209g/mol |
| Monoisotopic Mass | 326.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number