1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.

Imidazopyridines

Organic compounds

Organoheterocyclic compounds

Imidazopyridines

Calculated Property

kind Value Source
logP 3.09 ALOGPS
logS -4.1 ALOGPS
Water Solubility 3.30e-02 g/l ALOGPS
logP 2.27 ChemAxon
IUPAC Name (2S)-1-(dimethylamino)-3-{4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]phenoxy}propan-2-ol ChemAxon
Traditional IUPAC Name (2S)-1-(dimethylamino)-3-{4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]phenoxy}propan-2-ol ChemAxon
Molecular Weight 418.4915 ChemAxon
Monoisotopic Weight 418.211724106 ChemAxon
SMILES [H][C@@](O)(COC1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C3C=CC=CN23)C=C1)CN(C)C ChemAxon
Molecular Formula C23H26N6O2 ChemAxon
InChI InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1 ChemAxon
InChIKey InChIKey=VCPXSBULBDYRLT-SFHVURJKSA-N ChemAxon
Polar Surface Area (PSA) 87.81 ChemAxon
Refractivity 120.71 ChemAxon
Polarizability 45.99 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 13.54 ChemAxon
pKa (strongest basic) 8.7 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 1 ChemAxon

Target within organism

  • Cyclin-dependent kinase 2 : in Human