1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Naphthalenes

Organic compounds

Benzenoids

Naphthalenes

Calculated Property

kind Value Source
logP 2.58 ALOGPS
logS -3.8 ALOGPS
Water Solubility 4.94e-02 g/l ALOGPS
logP 2.65 ChemAxon
IUPAC Name 1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemAxon
Traditional IUPAC Name 1-methyl-3-(naphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine ChemAxon
Molecular Weight 275.3079 ChemAxon
Monoisotopic Weight 275.117095441 ChemAxon
SMILES CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1 ChemAxon
Molecular Formula C16H13N5 ChemAxon
InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19) ChemAxon
InChIKey InChIKey=UOKGZPYGRJDACN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 69.62 ChemAxon
Refractivity 94.13 ChemAxon
Polarizability 29.75 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 19.71 ChemAxon
pKa (strongest basic) 6.61 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 0 ChemAxon

Target within organism

  • Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform : in Human