Basic information
- CAS
891494-67-0- Standard SMILES
COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(Br)cnn12- InChIKey
BFNICOBHCWODFZ-UHFFFAOYSA-N- Molecular formula
- C17H23BrN4O3
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.09535
Names & identifiers
- Preferred name
- tert-Butyl 3-(3-bromo-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-(3-bromo-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
- English name
- TERT-BUTYL 3-(3-BROMO-7-METHOXYPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)PIPERIDINE-1-CARBOXYLATE
- Molecular formula
- C17H23BrN4O3
- Molecular weight
- 411.29
Names & synonyms
891494-67-0tert-Butyl 3-(3-bromo-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylateSCHEMBL11931324F51799tert-Butyl3-(3-bromo-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-(3-bromo-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
891494-67-0- PubChem CID
- 57758509
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 0.37 · 0.37±0.40(Predicted)
Chemistry & industry
Suppliers3 total
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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