Basic information
- CAS
119193-37-2- Standard SMILES
CN1C2CCC1CC(NC(=O)c1nn(C)c3ccccc13)C2- InChIKey
DDHAJFBBJWHSBR-UHFFFAOYSA-N- Molecular formula
- C17H22N4O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.17936134
Overview
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-indazolecarboxamide is a member of indazoles and an aromatic amide.
Names & identifiers
- Preferred name
- 1-Methyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-1H-indazole-3-carboxamide
- IUPAC
- 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide
- English name
- LY 278584
- Molecular formula
- C17H22N4O
- Molecular weight
- 298.38
Names & synonyms
LY 278584119193-37-2LY-278,584 maleate1-Methyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-1H-indazole-3-carboxamide109216-58-21-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indazole-3-carboxamide1-Methyl-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]-oct-3-yl]-1H-indazole-3-carboxamideLY2785841-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-indazolecarboxamideBiomol-NT_000163Lopac0_000741BPBio1_000507
Show more names
CID 5311254LY-2785841H-Indazole-3-carboxamide, 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1-METHYL-N-[(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL]INDAZOLE-3-CARBOXAMIDE
CHEMBL291046SCHEMBL9485783BDBM84739CHEBI:91535DTXSID10922885NSC_3970UEA19337AKOS040748814
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Boiling point
- 522.1 · 522.1±40.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 12.34 · 12.34±0.20(Predicted)
Chemistry & industry
Applications
UsesLY 278584 is a potent, highly selective 5-HT3 receptor antagonist with a Ki of 1.62 nM. LY 278584 has no activity on 5-HT1A, 5-HT1B, 5-HT1C, 5-HT1D, or 5-HT2 receptors[1].
Suppliers5 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
济南药研药物化学有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Additional notes
DefinitionChEBI: 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-indazolecarboxamide is an aromatic amide and a member of indazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…