General Information of the Compound
Compound ID
CP0275052
Compound Name
4-(3-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
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Structure
Formula
C24H20F6N4O2
Molecular Weight
510.438
Canonical SMILES
CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1
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InChI
InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-14(6-10-17)20-21(15-3-7-16(35)8-4-15)32-34-19(24(28,29)30)13-18(23(25,26)27)31-22(20)34/h3-10,13,35H,11-12H2,1-2H3
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InChIKey
XFPSQRFNGMCQFG-UHFFFAOYSA-N
Physicochemical Property
logP
5.7469
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
62.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 135547715
SID: 24749971
ChEMBL ID
CHEMBL219467