Isoxazolo[5,4-b]pyridine, 3-methyl-4-(4-methyl-1-piperazinyl)-6-phenyl-
Basic information
- CAS
61658-71-7- Standard SMILES
Cc1noc2nc(-c3ccccc3)cc(N3CCN(C)CC3)c12- InChIKey
XPKARGZMBBLPTK-UHFFFAOYSA-N- Molecular formula
- C18H20N4O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.16371127
Names & identifiers
- Preferred name
- Isoxazolo[5,4-b]pyridine, 3-methyl-4-(4-methyl-1-piperazinyl)-6-phenyl-
- IUPAC
- 3-methyl-4-(4-methylpiperazin-1-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine
Names & synonyms
61658-71-73-Methyl-4-(4-methylpiperazin-1-yl)-6-phenylisoxazolo[5,4-b]pyridineNSC604168Isoxazolo[5,4-b]pyridine, 3-methyl-4-(4-methyl-1-piperazinyl)-6-phenyl-SCHEMBL11822380DTXSID20326613NSC-604168Isoxazolo[5, 3-methyl-4-(4-methyl- 1-piperazinyl)-6-phenyl-3-Methyl-4-(4-methylpiperazin-1-yl)-6-phenyl[1,2]oxazolo[5,4-b]pyridine
Database identifiers
- CAS
61658-71-7- PubChem CID
- 354044
- DTXSID
DTXSID20326613
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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