General Information of the Compound
Compound ID
CP0434714
Compound Name
N-(6-fluoropyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
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Structure
Formula
C13H13FN4O
Molecular Weight
260.272
Canonical SMILES
Fc1cccc(NC(=O)c2cc3CCCCn3n2)n1
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InChI
InChI=1S/C13H13FN4O/c14-11-5-3-6-12(15-11)16-13(19)10-8-9-4-1-2-7-18(9)17-10/h3,5-6,8H,1-2,4,7H2,(H,15,16,19)
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InChIKey
PXGYPRWQSVIOPA-UHFFFAOYSA-N
Physicochemical Property
logP
2.0058
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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).

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PubChem ID
CID: 71813965
ChEMBL ID
CHEMBL2408156
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4744 nM
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