Basic information
- Standard SMILES
C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3cnn(C)c3)cc2)nc2c1CCN(c1ncccn1)C2- InChIKey
FMGZVLQNVZPLDK-SFHVURJKSA-N- Molecular formula
- C27H30N10O2
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.25532024
Names & identifiers
- Preferred name
- (S)-1-(1-methyl-1H-pyrazol-4-yl)-3-(4-(4-(3-methylmorpholino)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea
- IUPAC
- 1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)urea
Names & synonyms
SCHEMBL1838358FMGZVLQNVZPLDK-SFHVURJKSA-N(S)-1-(1-methyl-1H-pyrazol-4-yl)-3-(4-(4-(3-methylmorpholino)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea
Database identifiers
- PubChem CID
- 59239144
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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