General Information of the Compound
Compound ID
CP0823443
Compound Name
N,N,5-trimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
    Show/Hide
Structure
Formula
C12H15N5O2
Molecular Weight
261.285
Canonical SMILES
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N(C)C)c2C)n1
    Show/Hide
InChI
InChI=1S/C12H15N5O2/c1-7-5-10(18)15-12(14-7)17-8(2)9(6-13-17)11(19)16(3)4/h5-6H,1-4H3,(H,14,15,18)
    Show/Hide
InChIKey
OVIRRLKWCWOKQU-UHFFFAOYSA-N
Physicochemical Property
logP
0.27424
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
83.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137049038
ChEMBL ID
CHEMBL4538688
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: PT03734, Sepiapterin reductase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000151 SK-N-BE(2) Homo sapiens (Human)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 60 nM