Basic information
- Standard SMILES
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2ccn(C)c2cc1-c1ccnn1C- InChIKey
IBKCELDVCOBZIR-VIFPVBQESA-N- Molecular formula
- C18H20ClN9
- Average molar mass
- 397.9 g/mol
Names & identifiers
- Preferred name
- (S)-5-Chloro-N4-(1-(1-methyl-6-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)pyrimidine-2,4,6-triamine
- IUPAC
- 5-chloro-4-N-[(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethyl]pyrimidine-2,4,6-triamine
Names & synonyms
SCHEMBL15411574IBKCELDVCOBZIR-VIFPVBQESA-N(S)-5-Chloro-N4-(1-(1-methyl-6-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)pyrimidine-2,4,6-triamine
Database identifiers
- PubChem CID
- 73055401
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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