Ivarimod
(1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-hydroxyethyl)-5,9-dimethyl-5-(morpholine-4-carbonyl)-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione
| Molecular Formula | C30H44N2O5 |
|---|---|
| Molecular Weight | 512.7 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.2 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.325 |
| Heavy Atoms | 37 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 53003-81-9 |
|---|---|
| SMILES | CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)CCO)(CCCC4(C)C(=O)N6CCOCC6)C |
| InChIKey | YBWSFBMTGQZOMO-JKMJZXPOSA-N |
📖 Product Overview
Ivarimod (CAS: 53003-81-9) is a chemical compound with molecular formula C30H44N2O5 and molecular weight 512.7 g/mol. Its IUPAC systematic name is (1S,4R,5R,9R,10R,12R,13R,17R)-15-(2-hydroxyethyl)-5,9-dimethyl-5-(morpholine-4-carbonyl)-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione.
YBWSFBMTGQZOMO-JKMJZXPOSA-N.
SMILES: CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)CCO)(CCCC4(C)C(=O)N6CCOCC6)C.
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