Basic information
- Standard SMILES
COc1c(C)cnc(Cn2c(CN3CCCC3)cc3c(Cl)nc(N)nc32)c1C- InChIKey
OSIVBPGKYWLPGE-UHFFFAOYSA-N- Molecular formula
- C20H25ClN6O
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1778371
Names & identifiers
- Preferred name
- 4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-6-pyrrolidin-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine
- IUPAC
- 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(pyrrolidin-1-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL3393875OSIVBPGKYWLPGE-UHFFFAOYSA-N4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-6-pyrrolidin-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine
Database identifiers
- PubChem CID
- 21883088
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
1 records
Compound notes
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