| CAS Number | 1936422-33-1 |
| Catalog Number | AG01E3KF |
| Chemical Name | GNE-781 |
| IUPAC Name | 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide |
| InChI | InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37) |
| InChI Key | CQCWHSDMJBAGDC-UHFFFAOYSA-N |
| MDL Number | MFCD31693834 |
| Molecular Formula | C27H33F2N7O2 |
| Molecular Weight | 525.5934 |
| SMILES | FC(C1=C(C=C2CCCN(C2=C1)C1=NN(C2=C1CN(CC2)C(=O)NC)C2CCOCC2)C=2C=NN(C2)C)F |
| Synonyms | 3-(7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-tetrahydropyran-4-yl-6,7-dihydro-4H-pyrazolo(4,3-c)pyridine-5-carboxamide,
GNE-781,
GNE-781,
3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide,
9U4,
CHEMBL4097025,
HY-108696,
CS-0030034,
1936422-33-1,
|
| Complexity | 833 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 525.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 525.605g/mol |
| Monoisotopic Mass | 525.266g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number