General Information of the Compound
Compound ID
CP0289537
Compound Name
Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-ethyl-amine
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Synonyms
202579-59-7
4U96TT078E
AKOS032947015
BDBM50071234
CHEMBL290762
PD 171729
PD-171729
Pyrazolo(1,5-a)pyrimidin-7-amine, N-butyl-3-(2,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-
SCHEMBL16606731
UNII-4U96TT078E
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Structure
Formula
C20H24Cl2N4
Molecular Weight
391.346
Canonical SMILES
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C20H24Cl2N4/c1-5-7-10-25(6-2)18-11-13(3)23-20-19(14(4)24-26(18)20)16-9-8-15(21)12-17(16)22/h8-9,11-12H,5-7,10H2,1-4H3
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InChIKey
DVFPSRARRBNMBH-UHFFFAOYSA-N
Physicochemical Property
logP
5.94634
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
33.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 9800614
SID: 14756522
ChEMBL ID
CHEMBL290762
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5 nM
Clinical Information about the Compound
Drug 1 ( PD-171729 )
Drug Name PD-171729
Target(s)
Corticotropin-releasing factor receptor 1 (CRHR1)
Inhibitor