| CAS Number | 1800398-38-2 |
| Catalog Number | AG01EOJE(AGN-PC-3H46EB) |
| Chemical Name | LXH254 |
| IUPAC Name | N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| InChI | InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34) |
| InChI Key | UEPXBTCUIIGYCY-UHFFFAOYSA-N |
| MDL Number | MFCD31657408 |
| Molecular Formula | C25H25F3N4O4 |
| Molecular Weight | 502.4856 |
| SMILES | O=C(C2=CC(C(F)(F)F)=NC=C2)NC1=CC=C(C)C(C3=CC(OCCO)=NC(N4CCOCC4)=C3)=C1 |
| Synonyms | LXH254,
1800398-38-2,
LXH-254,
N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide,
SCHEMBL16094629,
BDBM88120,
LXH 254,
UEPXBTCUIIGYCY-UHFFFAOYSA-N,
BCP29080,
EX-A1846,
HY-112089,
AK00780530,
CS-0043317,
A16841,
US9694016, 1156,
N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide,
N-[3-[2-(2-Hydroxyethoxy)-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)-4-pyridinecarboxamide,
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| Complexity | 709 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.494g/mol |
| Monoisotopic Mass | 502.183g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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