Basic information
- CAS
1346669-50-8- Standard SMILES
Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1CCn2c(cc3c2CCCC3)C1=O- InChIKey
BHOPUNOQKWECPN-UHFFFAOYSA-N- Molecular formula
- C29H32N8O2
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.26482229
Names & identifiers
- Preferred name
- Pyrazino[1,2-a]indol-1(2H)-one, 2-[3-[1,6-dihydro-6-oxo-5-[(4,5,6,7-tetrahydro-5-methylpyrazolo[1,5-a]pyrazin-2-yl)amino]-3-pyridazinyl]-2-methylphenyl]-3,4,6,7,8,9-hexahydro-
- IUPAC
- 2-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
Names & synonyms
SCHEMBL1392859CHEMBL3670078BDBM111935DTXSID7010989681346669-50-8Pyrazino[1,2-a]indol-1(2H)-one, 2-[3-[1,6-dihydro-6-oxo-5-[(4,5,6,7-tetrahydro-5-methylpyrazolo[1,5-a]pyrazin-2-yl)amino]-3-pyridazinyl]-2-methylphenyl]-3,4,6,7,8,9-hexahydro-US8618107, 101
Database identifiers
- CAS
1346669-50-8- PubChem CID
- 54596648
- DTXSID
DTXSID701098968- ChEMBL
CHEMBL3670078
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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