1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)-
Basic information
- CAS
150064-14-5- Standard SMILES
Cc1cc2c(c(=O)n1C)C(=O)N(CCCCN1CCN(c3nccs3)CC1)C2=O- InChIKey
QYCIEXMLMQWAIB-UHFFFAOYSA-N- Molecular formula
- C20H25N5O3S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.16781085
Names & identifiers
- Preferred name
- 1H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)-
- IUPAC
- 5,6-dimethyl-2-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
Names & synonyms
150064-14-51H-Pyrrolo(3,4-c)pyridine-1,3,4(2H,5H)-trione, 5,6-dimethyl-2-(4-(4-(2-thiazolyl)-1-piperazinyl)butyl)-DTXSID50164464RefChem:240881DTXCID20869555,6-Dimethyl-2-{4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butyl}-1H-pyrrolo[3,4-c]pyridine-1,3,4(2H,5H)-trione
Database identifiers
- CAS
150064-14-5- PubChem CID
- 3073576
- DTXSID
DTXSID50164464
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 772
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Compound notes
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