General Information of the Compound
Compound ID
CP0571798
Compound Name
N-[5-methyl-4-[(7R)-4-oxo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl]cyclopropanecarboxamide
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Structure
Formula
C19H23N5O2
Molecular Weight
353.426
Canonical SMILES
CC(C)[C@@H]1CNC(=O)c2cc(nn12)-c1cc(NC(=O)C2CC2)ncc1C
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InChI
InChI=1S/C19H23N5O2/c1-10(2)16-9-21-19(26)15-7-14(23-24(15)16)13-6-17(20-8-11(13)3)22-18(25)12-4-5-12/h6-8,10,12,16H,4-5,9H2,1-3H3,(H,21,26)(H,20,22,25)/t16-/m0/s1
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InChIKey
QQPPJHRLKDUHHR-INIZCTEOSA-N
Physicochemical Property
logP
2.54252
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
88.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 168292090
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: PT02680, Phosphatidylinositol 3-kinase catalytic subunit type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 48 nM
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