| CAS Number | 1442472-39-0 |
| Catalog Number | AG01EO7K(AGN-PC-3H4694) |
| Chemical Name | N-[4-Bromo-5-[1-ethyl-1,2-dihydro-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-N'-phenylurea |
| IUPAC Name | 1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea |
| InChI | InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33) |
| InChI Key | CEFJVGZHQAGLHS-UHFFFAOYSA-N |
| MDL Number | MFCD31657437 |
| Molecular Formula | C24H21BrFN5O2 |
| Molecular Weight | 510.3582 |
| SMILES | O=c1c(cc2c(n1CC)cc(nc2)NC)c1cc(NC(=O)Nc2ccccc2)c(cc1Br)F |
| UNII | 9XW757O13D |
| Synonyms | Ripretinib,
UNII-9XW757O13D,
DCC-2618,
9XW757O13D,
1442472-39-0,
Ripretinib [USAN],
GTPL9175,
SCHEMBL14999718,
HY-112306,
CS-0044835,
1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea,
N-(4-bromo-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-N'-phenylurea,
Urea, N-(4-bromo-5-(1-ethyl-1,2-dihydro-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl)-N'-phenyl-,
|
| Complexity | 746 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 509.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 510.367g/mol |
| Monoisotopic Mass | 509.086g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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