(5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone - CAS 1703788-55-9
Catalog: |
BB012637 |
Product Name: |
(5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone |
CAS: |
1703788-55-9 |
Synonyms: |
(5-amino-1-methyl-3-indolyl)-cyclopropylmethanone; (5-amino-1-methylindol-3-yl)-cyclopropylmethanone |
IUPAC Name: | (5-amino-1-methylindol-3-yl)-cyclopropylmethanone |
Description: | (5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone (CAS# 1703788-55-9) is an idole derivative. Synthetic indole-derived cannabinoids have become commonly used recreational drugs and continue to be abused despite their adverse consequences. |
Molecular Weight: | 214.26 |
Molecular Formula: | C13H14N2O |
Canonical SMILES: | CN1C=C(C2=C1C=CC(=C2)N)C(=O)C3CC3 |
InChI: | InChI=1S/C13H14N2O/c1-15-7-11(13(16)8-2-3-8)10-6-9(14)4-5-12(10)15/h4-8H,2-3,14H2,1H3 |
InChI Key: | PYEPLBSZZOCQTB-UHFFFAOYSA-N |
LogP: | 2.93440 |
Publication Number | Title | Priority Date |
AU-2014340249-B2 | Substituted pyrimidine compounds and their use as SYK inhibitors | 20131021 |
CN-105940000-B | Substituted pyrimidine compounds and their use as SYK inhibitors | 20131021 |
EP-3060562-A1 | Substituted pyrimidine compounds and their use as syk inhibitors | 20131021 |
US-2015111883-A1 | Substituted pyrimidine compounds and their use as syk inhibitors | 20131021 |
US-9212178-B2 | Substituted pyrimidine compounds and their use as SYK inhibitors | 20131021 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.110613074 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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