2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 2,3-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C3-positions.

2,3-diphenylfurans

Organic compounds

Organoheterocyclic compounds

Furans

Diphenylfurans

Calculated Property

kind Value Source
logP 4.03 ALOGPS
logS -4.1 ALOGPS
Water Solubility 3.41e-02 g/l ALOGPS
logP 3.45 ChemAxon
IUPAC Name 2,3-diphenyl-N-[2-(piperazin-1-yl)ethyl]furo[2,3-b]pyridin-4-amine ChemAxon
Traditional IUPAC Name 2,3-diphenyl-N-[2-(piperazin-1-yl)ethyl]furo[2,3-b]pyridin-4-amine ChemAxon
Molecular Weight 398.5001 ChemAxon
Monoisotopic Weight 398.210661474 ChemAxon
SMILES C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C25H26N4O ChemAxon
InChI InChI=1S/C25H26N4O/c1-3-7-19(8-4-1)22-23-21(27-15-18-29-16-13-26-14-17-29)11-12-28-25(23)30-24(22)20-9-5-2-6-10-20/h1-12,26H,13-18H2,(H,27,28) ChemAxon
InChIKey InChIKey=QUIQCYFSBGOBKE-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 53.33 ChemAxon
Refractivity 121.81 ChemAxon
Polarizability 45.23 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest basic) 9.28 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Tyrosine-protein kinase Lck : in Human