| CAS Number | 1891087-61-8 |
| Catalog Number | AG01EO4P(AGN-PC-3H466J) |
| Chemical Name | BAY-1816032 |
| IUPAC Name | 2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol |
| InChI | InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33) |
| InChI Key | QVOGVAVHOLLLAZ-UHFFFAOYSA-N |
| MDL Number | MFCD31657337 |
| Molecular Formula | C27H24F2N6O4 |
| Molecular Weight | 534.5141 |
| SMILES | FC=1C=C(OCCO)C=C(C1CN1N=C(C2=CC=CC=C12)C1=NC=C(C(=N1)NC1=C(C=NC=C1)OC)OC)F |
| Synonyms | BAY-1816032,
1891087-61-8,
2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol,
SCHEMBL17606911,
EX-A2675,
BAY 1816032,
HY-103020,
CS-0023128,
2-[3,5-Difluoro-4-[[3-[5-methoxy-4-[(3-methoxy-4-pyridinyl)amino]-2-pyrimidinyl]-1H-indazol-1-yl]methyl]phenoxy]ethanol,
CVQ,
|
| Complexity | 749 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 534.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 534.524g/mol |
| Monoisotopic Mass | 534.183g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number