| CAS Number | 1382477-96-4 |
| Catalog Number | AG01E1R7(AGN-PC-0WP22K) |
| Chemical Name | Mps-BAY2a |
| IUPAC Name | N-cyclopropyl-4-[8-(2-methylpropylamino)-6-quinolin-5-ylimidazo[1,2-a]pyrazin-3-yl]benzamide |
| InChI | InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36) |
| InChI Key | MDYKTGNHXNTATG-UHFFFAOYSA-N |
| MDL Number | MFCD29081183 |
| Molecular Formula | C29H28N6O |
| Molecular Weight | 476.5722 |
| SMILES | O=C(C1=CC=C(C2N3C(C(NCC(C)C)=NC(C4=C5C(N=CC=C5)=CC=C4)=C3)=NC=2)C=C1)NC1CC1 |
| Synonyms | Mps BAY 2a,
1382477-96-4,
CHEMBL3422104,
MpsBAY2a,
SCHEMBL15582937,
BDBM50081539,
AKOS027470209,
ZINC147814226,
N-Cyclopropyl-4-[8-[(2-methylpropyl)amino]-6-(5-quinolinyl)imidazo[1,2-a]pyrazin-3-yl]benzamide,
MDYKTGNHXNTATG-UHFFFAOYSA-N,
|
| Complexity | 750 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.584g/mol |
| Monoisotopic Mass | 476.232g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number