General Information of the Compound
| Compound ID |
CP0168163
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| Compound Name |
(E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone
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| Synonyms |
(+)-(R)-((E)-3-(2-Phenylpyrazolo(1,5-a)pyridin-3-yl)acryloyl)-2-piperidineethanol
(E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
(R-(E))-1-(1-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-2-propenyl)-2-piperidineethanol
121524-18-3
2-Piperidineethanol, 1-(1-oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-2-propenyl)-, (R-(E))-
AC1O5QYH
BDBM50079652
C23H25N3O2
CHEMBL440115
FK 453
FK-453
FK453
FR-453
FR113453
GTPL5606
SCHEMBL2826910
SCHEMBL3074643
ZINC1486608
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
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| InChIKey |
OPLOPFHUHFGKMJ-JXOMPUQVSA-N
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| CAS |
121524-18-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound