1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
Basic information
- CAS
150064-16-7- Standard SMILES
Cc1cc2c(c(N3CCN(c4ncccn4)CC3)n1)C(=O)N(CCCCN1CCN(c3ncccn3)CC1)C2=O- InChIKey
NRRZOPOJEGRAEV-UHFFFAOYSA-N- Molecular formula
- C28H34N10O2
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.28662037
Names & identifiers
- Preferred name
- 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
- IUPAC
- 6-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione
Names & synonyms
150064-16-71H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 6-methyl-4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-DTXSID10164465RefChem:240875DTXCID70869566-Methyl-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
Database identifiers
- CAS
150064-16-7- PubChem CID
- 3073577
- DTXSID
DTXSID10164465
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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