| CAS Number | 1549811-53-1 |
| Catalog Number | AG01EPEK(AGN-PC-3H46NN) |
| Chemical Name | (3R)-1-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl}-7-methoxy-1-methyl-1H-1,3-benzodiazole-5-carbonyl)piperidin-3-amine hydrochloride |
| IUPAC Name | [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride |
| InChI | InChI=1S/C24H28N6O2.ClH/c1-4-30-19(12-15-7-5-9-26-22(15)30)23-27-18-11-16(13-20(32-3)21(18)28(23)2)24(31)29-10-6-8-17(25)14-29;/h5,7,9,11-13,17H,4,6,8,10,14,25H2,1-3H3;1H/t17-;/m1./s1 |
| InChI Key | KRGMIOKDGHBYQE-UNTBIKODSA-N |
| MDL Number | MFCD32631917 |
| Molecular Formula | C24H29ClN6O2 |
| Molecular Weight | 468.9791 |
| SMILES | Cl.CCN1C2=C(C=CC=N2)C=C1C1N(C)C2=C(C=C(C(N3C[C@H](N)CCC3)=O)C=C2OC)N=1 |
| Synonyms | (R)-(3-Aminopiperidin-1-yl)(2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone hydrochloride,
1549811-53-1,
GSK-199 HCl salt,
KRGMIOKDGHBYQE-UNTBIKODSA-N,
SB19807,
(R)-(3-Aminopiperidin-1-yl)(2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone, hydrochloride,
[(3R)-3-amino-1-piperidinyl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]-methanone,monohydrochloride,
|
| Complexity | 679 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 468.986g/mol |
| Monoisotopic Mass | 468.204g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number