1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.

Pyrazolopyridines

Organic compounds

Organoheterocyclic compounds

Pyrazolopyridines

Calculated Property

kind Value Source
logP 2.61 ALOGPS
logS -3.9 ALOGPS
Water Solubility 4.73e-02 g/l ALOGPS
logP 1.81 ChemAxon
IUPAC Name N-benzyl-1-ethyl-4-[(oxan-4-yl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide ChemAxon
Traditional IUPAC Name N-benzyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide ChemAxon
Molecular Weight 379.4555 ChemAxon
Monoisotopic Weight 379.200825069 ChemAxon
SMILES CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1 ChemAxon
Molecular Formula C21H25N5O2 ChemAxon
InChI InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27) ChemAxon
InChIKey InChIKey=QZGJNFBMYYEFGM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 81.07 ChemAxon
Refractivity 121.09 ChemAxon
Polarizability 41.51 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.78 ChemAxon
pKa (strongest basic) 5.16 ChemAxon
Physiological Charge 0 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

  • cAMP-specific 3′,5′-cyclic phosphodiesterase 4B : in Human