| CAS Number | 1933533-18-6 |
| Catalog Number | AG01ENIQ(AGN-PC-3H45MO) |
| Chemical Name | 2-(4-(6-Heptanoylimidazo[1,2-a]pyridin-8-yl)phenyl)acetic acid |
| IUPAC Name | 2-[4-(6-heptanoylimidazo[1,2-a]pyridin-8-yl)phenyl]acetic acid |
| InChI | InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27) |
| InChI Key | MMYRYMMKMUTPBB-UHFFFAOYSA-N |
| MDL Number | MFCD31579859 |
| Molecular Formula | C22H24N2O3 |
| Molecular Weight | 364.4376 |
| SMILES | C(CCCCCC)(=O)C=1C=C(C=2N(C1)C=CN2)C2=CC=C(C=C2)CC(=O)O |
| Synonyms | 1933533-18-6,
SPT Imidazopyridine 1,
AKOS034831602,
J3.612.803H,
2-[4-(6-Heptanoylimidazo[1,2-a]pyridine-8-yl)phenyl]acetic acid,
4-[6-(1-Oxoheptyl)imidazo[1,2-a]pyridin-8-yl]benzeneacetic acid,
4-[6-(1-Oxoheptyl)imidazo[1,2-a]pyridin-8-yl]benzeneaceticacid,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.445g/mol |
| Monoisotopic Mass | 364.179g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 71.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number