General Information of the Compound
Compound ID
CP0559962
Compound Name
2-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
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Structure
Formula
C19H29N5O
Molecular Weight
343.475
Canonical SMILES
CC(C)N1CCC(CNC(=O)c2cccc3nc(nn23)C(C)C)CC1
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InChI
InChI=1S/C19H29N5O/c1-13(2)18-21-17-7-5-6-16(24(17)22-18)19(25)20-12-15-8-10-23(11-9-15)14(3)4/h5-7,13-15H,8-12H2,1-4H3,(H,20,25)
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InChIKey
OICLMOYYTDIION-UHFFFAOYSA-N
Physicochemical Property
logP
2.7029
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
62.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 145972565
ChEMBL ID
CHEMBL4215820
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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