| CAS Number | 1041852-85-0 |
| Catalog Number | AG01EO16(AGN-PC-3H4658) |
| Chemical Name | 4-((2-Fluoro-4-methylphenyl)amino)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methoxycinnoline-3-carboxamide |
| IUPAC Name | 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide |
| InChI | InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27) |
| InChI Key | CPDGCAFPSYOTGO-UHFFFAOYSA-N |
| MDL Number | MFCD28160337 |
| Molecular Formula | C23H27FN6O3 |
| Molecular Weight | 454.4973 |
| SMILES | O=C(N)C1=NN=C2C=C(OC)C(=CC2=C1NC3=CC=C(C=C3F)C)N4CCN(CCO)CC4 |
| Synonyms | AZD7507,
azd7507,
1041852-85-0,
SCHEMBL1276898,
CHEMBL2409407,
EX-A2782,
ZINC43197848,
HY-117244,
CS-0064524,
A16886,
4-((2-fluoro-4-methylphenyl)amino)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methoxycinnoline-3-carboxamide,
CPDGCAFPSYOTGO-UHFFFAOYSA-N,
|
| Complexity | 652 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.212867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.5g/mol |
| Monoisotopic Mass | 454.212867g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number