Inicarone
Basic information
- CAS
39178-37-5- Standard SMILES
CC(C)c1oc2ccccc2c1C(=O)c1ccncc1- InChIKey
FMDGBNOKORNXFS-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Overview
Inicarone is a small molecule drug. Inicarone has a monoisotopic molecular weight of 265.11 Da.
Names & identifiers
- Preferred name
- Inicarone
- IUPAC
- (2-propan-2-yl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
- English name
- Inicarone
- Molecular formula
- C17H15NO2
- Molecular weight
- 265.31
Names & synonyms
Inicarone39178-37-5InicaronaInicaronum1EVW48QLUNNSC-267421L-7035L7035DTXSID30192407(2-(1-Methylethyl)-3-benzofuranyl)-4-pyridinylmethanoneRefChem:148296DTXCID00114898
Show more names
2-isopropylbenzofuran2-Isopropylbenzofuran-3-yl(pyridin-4-yl) ketone
isopropyl-2-isonicotinyl-3-benzofuranInicarone [INN](2-propan-2-yl-1-benzofuran-3-yl)-pyridin-4-ylmethanoneL 70352-Isopropyl-3-benzofuranyl 4-pyridyl ketoneMethanone, [2-(1-methylethyl)-3-benzofuranyl]-4-pyridinyl-Inicaronum [INN-Latin]Inicarona [INN-Spanish]
Database identifiers
- CAS
39178-37-5- PubChem CID
- 65811
- DTXSID
DTXSID30192407- ChEMBL
CHEMBL2104363- UNII
- 1EVW48QLUN
- Nikkaji
- J15.811I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 433 · 433.0±35.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 2.59 · 2.59±0.10(Predicted)
- FDA UNII
- 1 EVW48QLUN · 1EVW48QLUN
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Related reactions
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Compound notes
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