Basic information
- Standard SMILES
O=C(CCN1CCCCC1)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1- InChIKey
LGZFSNMMLUNLGT-UHFFFAOYSA-N- Molecular formula
- C19H24ClN5O
- Average molar mass
- 373.9 g/mol
Names & identifiers
- Preferred name
- 1-[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-piperidin-1-ylpropan-1-one
- IUPAC
- 1-[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-piperidin-1-ylpropan-1-one
Names & synonyms
SCHEMBL5005732LGZFSNMMLUNLGT-UHFFFAOYSA-N1-[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-piperidin-1-ylpropan-1-one
Database identifiers
- PubChem CID
- 58710052
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
3 records
Compound notes
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