General Information of the Compound
Compound ID
CP0331815
Compound Name
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
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Structure
Formula
C20H20FN3O2
Molecular Weight
353.397
Canonical SMILES
CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3)nc12
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InChI
InChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)16-12-26-17-6-7-18(22-19(16)17)23-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
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InChIKey
HRWIWORTVMTKLU-UHFFFAOYSA-N
Physicochemical Property
logP
4.0284
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
58.37
Hydrogen Bond Donor Count
1
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: 9863365
SID: 14827880
ChEMBL ID
CHEMBL177258