General Information of the Compound
Compound ID
CP0110120
Compound Name
4-[2-(4-hydroxyphenyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
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Structure
Formula
C20H11F6N3O2
Molecular Weight
439.315
Canonical SMILES
Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F
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InChI
InChI=1S/C20H11F6N3O2/c21-19(22,23)14-9-15(20(24,25)26)29-18(27-14)16(10-1-5-12(30)6-2-10)17(28-29)11-3-7-13(31)8-4-11/h1-9,30-31H
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InChIKey
VEKHAWLAUFKERN-UHFFFAOYSA-N
Physicochemical Property
logP
5.5121
Rotatable Bonds
2
Heavy Atom Count
31
Polar Areas
70.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 135457889
SID: 16884323
ChEMBL ID
CHEMBL426073