| CAS Number | 1469988-75-7 |
| Catalog Number | AG00ABLG |
| Chemical Name | QL47 |
| IUPAC Name | 9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one |
| InChI | InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3 |
| InChI Key | RTRNJQOBEOISFQ-UHFFFAOYSA-N |
| MDL Number | MFCD22124682 |
| Molecular Formula | C27H21N5O2 |
| Molecular Weight | 447.4879 |
| SMILES | C12CCN(C(=O)C=C)C1=CC(N1C(C=CC3=C1C1=CC(C4C=NN(C)C=4)=CC=C1N=C3)=O)=CC=2 |
| Synonyms | QL47,
1469988-75-7,
CHEMBL4077064,
SCHEMBL15334746,
CHEBI:94815,
BTK Inhibitor;QL 47;QL-47,
ZINC205121364,
CS-2151,
NCGC00346962-01,
HY-80003,
BRD-K99252563-001-01-1,
A8635,
A16263,
|
| Complexity | 860 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 447.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 447.498g/mol |
| Monoisotopic Mass | 447.17g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number