Basic information
- Standard SMILES
CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21- InChIKey
HAKJUVBTRWXTRU-QGZVFWFLSA-N- Molecular formula
- C24H26N8O
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.22295748
Names & identifiers
- Preferred name
- (R)-2-(-3-amino-piperidin-1-yl)-3-(but-2-ynyl)-5-(4-methyl-quinazolin-2-ylmethyl)-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
- IUPAC
- 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
Names & synonyms
CHEMBL403553SCHEMBL196652SCHEMBL29800971HAKJUVBTRWXTRU-QGZVFWFLSA-NBDBM50376985(R)-2-(-3-amino-piperidin-1-yl)-3-(but-2-ynyl)-5-(4-methyl-quinazolin-2-ylmethyl)-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
Database identifiers
- PubChem CID
- 10003476
- ChEMBL
CHEMBL403553
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 820
Related reactions
2 records
Compound notes
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