Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)nc3ccnn23)CC1- InChIKey
CTGAIJXRSBFTEG-UHFFFAOYSA-N- Molecular formula
- C16H22ClN5O2
- Average molar mass
- 351.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-7-ylamino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1934213CTGAIJXRSBFTEG-UHFFFAOYSA-Ntert-butyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-7-ylamino)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58314523
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
6 records
Compound notes
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