| CAS Number | 1781882-72-1 |
| Catalog Number | AG01ENO0(AGN-PC-3H460I) |
| Chemical Name | SB-747651A (dihydrochloride) |
| IUPAC Name | 4-[1-ethyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;dihydrochloride |
| InChI | InChI=1S/C16H22N8O.2ClH/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13;;/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23);2*1H |
| InChI Key | NRRCQHARLPNLHJ-UHFFFAOYSA-N |
| MDL Number | MFCD26792571 |
| Molecular Formula | C16H24Cl2N8O |
| Molecular Weight | 415.3208 |
| SMILES | C1=NC=C(CNC2CCNCC2)C2N(CC)C(C3C(N)=NON=3)=NC1=2.[H]Cl.[H]Cl |
| Synonyms | 1781882-72-1,
SB 747651A dihydrochloride,
AKOS024458263,
2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-4-piperidinyl-1H-imidazo[4,5-c]pyridine-7-methanamine dihydrochloride,
2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-4-piperidinyl-1H-imidazo[4,5-c]pyridine-7-methanaminedihydrochloride,
NRRCQHARLPNLHJ-UHFFFAOYSA-N,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.323g/mol |
| Monoisotopic Mass | 414.145g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number