[2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-2H-indol-5-yl](4-hydroxypiperidin-1-yl)methanone
Basic information
- CAS
827316-96-1- Standard SMILES
O=C(c1ccc2[nH]c(-c3ccn[nH]3)cc2c1)N1CCC(O)CC1- InChIKey
YONWQRCMZAENOM-UHFFFAOYSA-N- Molecular formula
- C17H18N4O2
- Average molar mass
- 310.35 g/mol
- Monoisotopic mass
- 310.14297583
Names & identifiers
- Preferred name
- [2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-2H-indol-5-yl](4-hydroxypiperidin-1-yl)methanone
- IUPAC
- (4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-5-yl]methanone
Names & synonyms
827316-96-1(2-(1H-Pyrazol-3-yl)-1H-indol-5-yl)(4-hydroxypiperidin-1-yl)methanoneSCHEMBL5753668DTXSID30740801[2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-2H-indol-5-yl](4-hydroxypiperidin-1-yl)methanone
Database identifiers
- CAS
827316-96-1- PubChem CID
- 136235161
- DTXSID
DTXSID30740801
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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