4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridyl]cyclohexanone - CAS 857651-06-0
Catalog: |
BB037718 |
Product Name: |
4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridyl]cyclohexanone |
CAS: |
857651-06-0 |
Synonyms: |
4-hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]-1-cyclohexanone; 4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexan-1-one |
IUPAC Name: | 4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexan-1-one |
Description: | 4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridyl]cyclohexanone (CAS# 857651-06-0 ) is a useful research chemical. |
Molecular Weight: | 269.30 |
Molecular Formula: | C15H15N3O2 |
Canonical SMILES: | C1CC(CCC1=O)(C2=NC=C(C=C2)C3=NC=CC=N3)O |
InChI: | InChI=1S/C15H15N3O2/c19-12-4-6-15(20,7-5-12)13-3-2-11(10-18-13)14-16-8-1-9-17-14/h1-3,8-10,20H,4-7H2 |
InChI Key: | SCFKTBHPKNQOBT-UHFFFAOYSA-N |
LogP: | 1.86930 |
Publication Number | Title | Priority Date |
EP-3570893-A1 | Non peptidic heterobivalent molecules for treating inflammatory diseases | 20170117 |
US-2019336489-A1 | Non peptide heterobivalent molecules for treating inflammatory diseases | 20170117 |
WO-2018134731-A1 | Non peptidic heterobivalent molecules for treating inflammatory diseases | 20170117 |
AU-2006327823-A1 | 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors | 20051221 |
BR-PI0620073-A2 | 3-aminocyclopentanecarboxamides as chemokine receptor modulators | 20051221 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.11642673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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