N-[4-[4-amino-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
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Basic information
- Standard SMILES
COc1cc(-c2nn(C3CCN(Cc4c[nH]cn4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C- InChIKey
IOHKRLATGXJDMO-UHFFFAOYSA-N- Molecular formula
- C31H32N10O2
- Average molar mass
- 576.7 g/mol
- Monoisotopic mass
- 576.2709703
Names & identifiers
- Preferred name
- N-[4-[4-amino-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
- IUPAC
- N-[4-[4-amino-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
Names & synonyms
SCHEMBL4828244
Database identifiers
- PubChem CID
- 22347005
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 952
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Related reactions
1 records
Compound notes
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