Basic information
- Standard SMILES
Clc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(-n4ccnn4)cn3)CC2)nc1- InChIKey
SPYYSSJCCWKFGM-VQIMIIECSA-N- Molecular formula
- C21H24ClN7O
- Average molar mass
- 425.9 g/mol
Names & identifiers
- Preferred name
- 2-(4-((1R,2S)-2-(2-(5-(1H-1,2,3-triazol-1-yl)pyridin-2-yloxy)ethyl)cyclopropyl)piperidin-1-yl)-5-chloropyrimidine
- IUPAC
- 5-chloro-2-[4-[(1R,2S)-2-[2-[[5-(triazol-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
Names & synonyms
CHEMBL1771102SCHEMBL1186403SPYYSSJCCWKFGM-VQIMIIECSA-NBDBM503427012-(4-((1R,2S)-2-(2-(5-(1H-1,2,3-triazol-1-yl)pyridin-2-yloxy)ethyl)cyclopropyl)piperidin-1-yl)-5-chloropyrimidine5-chloro-2-{4-[(1R,2S)-2-(2-{[5-(1H-1,2,3-triazol-1-yl)pyridin-2-yl]oxy}ethyl)cyclopropyl]piperidin-1-yl}pyrimidine
Database identifiers
- PubChem CID
- 44467183
- ChEMBL
CHEMBL1771102
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 541
Related reactions
1 records
Compound notes
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