| CAS Number | 1383719-97-8 |
| Catalog Number | AG01ENIS(AGN-PC-3H45MM) |
| Chemical Name | PF-04628935 |
| IUPAC Name | 1-[2-[[2-chloro-4-(triazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethanone |
| InChI | InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3 |
| InChI Key | MTDYDDJVCIHZKH-UHFFFAOYSA-N |
| MDL Number | MFCD28118979 |
| Molecular Formula | C24H26ClN7OS |
| Molecular Weight | 496.0275 |
| SMILES | CC1SC2=NC(=CN2C=1)CC(=O)N1CCC2(CN(CC3C(Cl)=CC(N4N=CC=N4)=CC=3)C2)CC1 |
| Synonyms | CHEMBL2048820,
1383719-97-8,
1-[2-[[2-Chloro-4-(2H-1,2,3-triazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]non-7-yl]-2-(2-methylimidazo[2,1-b]thiazol-6-yl)ethanone,
BDBM50386955,
AKOS032962885,
NCGC00485397-01,
PF 04628935,
MTDYDDJVCIHZKH-UHFFFAOYSA-N,
|
| Complexity | 739 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 495.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 496.03g/mol |
| Monoisotopic Mass | 495.161g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number