2-Methyl-1H-indole-4-carbonitrile - CAS 1360883-22-2
Catalog: |
BB060323 |
Product Name: |
2-Methyl-1H-indole-4-carbonitrile |
CAS: |
1360883-22-2 |
Synonyms: |
2-METHYL-1H-INDOLE-4-CARBONITRILE; 4-Cyano-2-Methyl-1H-indole |
IUPAC Name: | 2-methyl-1H-indole-4-carbonitrile |
Description: | 2-Methyl-1H-indole-4-carbonitrile is used as areagent in the preparation of tricyclic fused pyrimidine compounds as inhibitors of p97 complex for treatment of cancer. |
Molecular Weight: | 156.18 |
Molecular Formula: | C10H8N2 |
Canonical SMILES: | CC1=CC2=C(C=CC=C2N1)C#N |
InChI: | InChI=1S/C10H8N2/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h2-5,12H,1H3 |
InChI Key: | WQMZLOOFONQYCE-UHFFFAOYSA-N |
References: | Zhou, H.-J.; et al. U.S. Pat. Appl. Publ. 68 pp. (2017). |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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