| CAS Number | 1469284-79-4 |
| Catalog Number | AG01ENIJ(AGN-PC-3H45MF) |
| Chemical Name | [(3R)-1-[2-[1-(4-Chloro-1H-pyrazol-1-yl)cyclopropyl]-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl]-1-pyrrolidinylmethanonemethanesulfonate |
| IUPAC Name | [(3R)-1-[2-[1-(4-chloropyrazol-1-yl)cyclopropyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;methanesulfonic acid |
| InChI | InChI=1S/C22H26ClN7O.CH4O3S/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28;1-5(2,3)4/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27);1H3,(H,2,3,4)/t15-;/m1./s1 |
| InChI Key | ZSTFDNQQOJUJFL-XFULWGLBSA-N |
| MDL Number | MFCD28137684 |
| Molecular Formula | C23H30ClN7O4S |
| Molecular Weight | 536.0468 |
| SMILES | CS(=O)(=O)O.ClC=1C=NN(C1)C1(CC1)C=1NC=2C(=NC(=CC2)N2C[C@@H](CCC2)C(=O)N2CCCC2)N1 |
| Synonyms | 1469284-79-4,
SCHEMBL15322622,
ZSTFDNQQOJUJFL-XFULWGLBSA-N,
AKOS034831579,
PF 06424439,
PF-06424439, >=98% (HPLC),
(R)-(1-(2-(1-(4-chloro-1H-pyrazol-1-yl)cyclopropyl)-3H-imidazo[4,5-b]pyridin-5-yl)piperidin-3-yl)(pyrrolidin-1-yl)methanone methanesulfonate,
[(3R)-1-[2-[1-(4-Chloro-1H-pyrazol-1-yl)cyclopropyl]-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl]-1-pyrrolidinylmethanone methanesulfonate,
[(3R)-1-[2-[1-(4-Chloro-1H-pyrazol-1-yl)cyclopropyl]-3H-imidazo[4,5-b]pyridin-5-yl]-3-piperidinyl]-1-pyrrolidinylmethanonemethanesulfonate,
|
| Complexity | 777 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 535.177g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 536.048g/mol |
| Monoisotopic Mass | 535.177g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number