General Information of the Compound
Compound ID
CP0573761
Compound Name
2-(5-methylpyridin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
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Structure
Formula
C12H12N4O
Molecular Weight
228.255
Canonical SMILES
Cc1cncc(c1)-c1cc2NC(=O)CCn2n1
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InChI
InChI=1S/C12H12N4O/c1-8-4-9(7-13-6-8)10-5-11-14-12(17)2-3-16(11)15-10/h4-7H,2-3H2,1H3,(H,14,17)
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InChIKey
VSCJWTNZZZNGJT-UHFFFAOYSA-N
Physicochemical Property
logP
1.59572
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 136074307
ChEMBL ID
CHEMBL3313978
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: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2.2 nM
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