5-Methyl-2-(1H-pyrazol-1-yl)-1H-Indole - CAS 1256246-38-4
Catalog: |
BB059496 |
Product Name: |
5-Methyl-2-(1H-pyrazol-1-yl)-1H-Indole |
CAS: |
1256246-38-4 |
Synonyms: |
Salmeterol Impurity D |
IUPAC Name: | 5-methyl-2-pyrazol-1-yl-1H-indole |
Description: | 5-Methyl-2-(1H-pyrazol-1-yl)-1H-Indole is a reactant for the preparation of pyrazolic analogs of granulatimide and isogranulatimide which are selective inibitors of checkpoint 1 (Chk1) kinase. |
Molecular Weight: | 197.24 |
Molecular Formula: | C12H11N3 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=C2)N3C=CC=N3 |
InChI: | InChI=1S/C12H11N3/c1-9-3-4-11-10(7-9)8-12(14-11)15-6-2-5-13-15/h2-8,14H,1H3 |
InChI Key: | LJVKTBSNTUPMSL-UHFFFAOYSA-N |
References: | Deslandes, S., et. al. Eur. J. Med. Chem., 54, 626 (2012). |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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