(9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one - CAS 1190363-44-0
Catalog: |
BB076741 |
Product Name: |
(9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one |
CAS: |
1190363-44-0 |
Synonyms: |
(9R)-9-Hydroxy-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-5-one |
IUPAC Name: | (9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one |
Description: | (9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one is used in the synthetic preparation of CGRP antagonist BMS-846372 via chemoselective and enantioselective reduction of cyclohepta[b]pyridine-5,9-dione. |
Molecular Weight: | 177.2 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | C1CC(C2=C(C=CC=N2)C(=O)C1)O |
InChI: | InChI=1S/C10H11NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6,9,13H,1,4-5H2/t9-/m1/s1 |
InChI Key: | ZZNXHQSAOHUNDA-SECBINFHSA-N |
References: | Leahy, D.K., et al. Org. Lett., 14, 4938 (2012); Bell, I., et al. Bioorg. Med. Chem. Lett., 16, 6165 (2006). |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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