(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.

Bipyridines and oligopyridines

Organic compounds

Organoheterocyclic compounds

Pyridines and derivatives

Bipyridines and oligopyridines

Calculated Property

kind Value Source
logP 3.08 ALOGPS
logS -5.1 ALOGPS
Water Solubility 2.97e-03 g/l ALOGPS
logP 2.95 ChemAxon
IUPAC Name (2S)-1-(1H-indol-3-yl)-3-{[2-(pyridin-4-yl)-1,7-naphthyridin-5-yl]oxy}propan-2-amine ChemAxon
Traditional IUPAC Name (2S)-1-(1H-indol-3-yl)-3-{[2-(pyridin-4-yl)-1,7-naphthyridin-5-yl]oxy}propan-2-amine ChemAxon
Molecular Weight 395.4564 ChemAxon
Monoisotopic Weight 395.174610319 ChemAxon
SMILES [H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2 ChemAxon
Molecular Formula C24H21N5O ChemAxon
InChI InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1 ChemAxon
InChIKey InChIKey=DQIXTEDFNFZMCM-SFHVURJKSA-N ChemAxon
Polar Surface Area (PSA) 89.71 ChemAxon
Refractivity 114.97 ChemAxon
Polarizability 43.41 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 17.11 ChemAxon
pKa (strongest basic) 9.24 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

  • cAMP-dependent protein kinase inhibitor alpha : in Human
  • cAMP-dependent protein kinase catalytic subunit alpha : in Human