General Information of the Compound
Compound ID
CP0239322
Compound Name
2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
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Structure
Formula
C20H18F3N3O2
Molecular Weight
389.377
Canonical SMILES
CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cc(F)cc3F)nc12
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InChI
InChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27)
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InChIKey
GXBIYXIMLSXCCJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3066
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
58.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 10000386
SID: 14980085
ChEMBL ID
CHEMBL173949