| CAS Number | 1386979-55-0 |
| Catalog Number | AG009CJ3 |
| Chemical Name | Mirk-IN-1 |
| IUPAC Name | N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]-2-methoxy-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxamide |
| InChI | InChI=1S/C23H17Cl2N5O4/c1-34-23-27-11-14-8-16(22(33)29-19(14)30-23)21(32)28-18-9-13(5-6-17(18)25)20(31)26-10-12-3-2-4-15(24)7-12/h2-9,11H,10H2,1H3,(H,26,31)(H,28,32)(H,27,29,30,33) |
| InChI Key | CQKBSRPVZZLCJE-UHFFFAOYSA-N |
| MDL Number | MFCD28900743 |
| Molecular Formula | C23H17Cl2N5O4 |
| Molecular Weight | 498.3182 |
| SMILES | ClC1C(NC(=O)C2C(O)=NC3C(=CN=C(N=3)OC)C=2)=CC(C(=O)NCC2C=CC=C(Cl)C=2)=CC=1 |
| Synonyms | Mirk-IN-1,
1386979-55-0,
CHEMBL3094448,
Dyrk1B/A-IN-1,
SCHEMBL10446906,
CQKBSRPVZZLCJE-UHFFFAOYSA-N,
BDBM50444379,
TC-S 7004,
AKOS025147328,
AKOS030260400,
ZINC103250300,
NCGC00387459-01,
HY-12838,
2-methoxy-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid [2-chloro-5-(3-chloro-benzylcarbamoyl)-phenyl]amide,
N-[2-Chloro-5-[[[(3-chlorophenyl)methyl]amino]carbonyl]phenyl]-7,8-dihydro-2-methoxy-7-oxopyrido[2,3-d]pyrimidine-6-carboxamide,
CS-4224,
A16255,
|
| Complexity | 812 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 497.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 498.32g/mol |
| Monoisotopic Mass | 497.066g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number