1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.

Phenylpyridines

Organic compounds

Organoheterocyclic compounds

Pyridines and derivatives

Phenylpyridines

Calculated Property

kind Value Source
logP 1.37 ALOGPS
logS -2.7 ALOGPS
Water Solubility 5.81e-01 g/l ALOGPS
logP 0.96 ChemAxon
IUPAC Name [(2S)-4-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl}morpholin-2-yl]methanamine ChemAxon
Traditional IUPAC Name [(2S)-4-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl}morpholin-2-yl]methanamine ChemAxon
Molecular Weight 309.3657 ChemAxon
Monoisotopic Weight 309.158960255 ChemAxon
SMILES [H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1 ChemAxon
Molecular Formula C17H19N5O ChemAxon
InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1 ChemAxon
InChIKey InChIKey=YBRZCAKSBYWZTC-ZDUSSCGKSA-N ChemAxon
Polar Surface Area (PSA) 80.06 ChemAxon
Refractivity 90.13 ChemAxon
Polarizability 32.9 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 10.35 ChemAxon
pKa (strongest basic) 9.07 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Serine/threonine-protein kinase Chk1 : in Human