US10112941, Example 55
Basic information
- CAS
1800340-41-3- Standard SMILES
Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@@H](c3ccccc3)C3CCOCC3)c2c1- InChIKey
KGERZPVQIRYWRK-LJAQVGFWSA-N- Molecular formula
- C30H33N5O2
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.26342531
Names & identifiers
- Preferred name
- US10112941, Example 55
- IUPAC
- 2-[3-(3,5-dimethyltriazol-4-yl)-5-[(R)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
Names & synonyms
CHEMBL6166389SCHEMBL16867424BDBM296948DTXSID6011019902-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl]propan-2-olUS10112941, Example 55US10112941, Example 911800340-41-35H-Pyrido[3,2-b]indole-7-methanol, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-I+/-,I+/--dimethyl-5-[(R)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-
Database identifiers
- CAS
1800340-41-3- PubChem CID
- 118201217
- DTXSID
DTXSID601101990- ChEMBL
CHEMBL6166389
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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