General Information of the Compound
Compound ID
CP0424520
Compound Name
7-(2,6-dimethoxy-4-methylphenyl)-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
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Structure
Formula
C27H37N3O3
Molecular Weight
451.611
Canonical SMILES
CCCN(CC1CCOCC1)c1c(CC)nn2c(cccc12)-c1c(OC)cc(C)cc1OC
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InChI
InChI=1S/C27H37N3O3/c1-6-13-29(18-20-11-14-33-15-12-20)27-21(7-2)28-30-22(9-8-10-23(27)30)26-24(31-4)16-19(3)17-25(26)32-5/h8-10,16-17,20H,6-7,11-15,18H2,1-5H3
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InChIKey
LYVLPTICFUVBTM-UHFFFAOYSA-N
Physicochemical Property
logP
5.53232
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
48.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 60155795
SID: 144086857
ChEMBL ID
CHEMBL2087571
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 40 nM
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