1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.

Pyrazolylpyridines

Organic compounds

Organoheterocyclic compounds

Pyridines and derivatives

Pyrazolylpyridines

Calculated Property

kind Value Source
logP 2.35 ALOGPS
logS -3.6 ALOGPS
Water Solubility 8.14e-02 g/l ALOGPS
logP 2.27 ChemAxon
IUPAC Name 1-cyclopentyl-3-{1H-pyrrolo[2,3-b]pyridin-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemAxon
Traditional IUPAC Name 1-cyclopentyl-3-{1H-pyrrolo[2,3-b]pyridin-5-yl}pyrazolo[3,4-d]pyrimidin-4-amine ChemAxon
Molecular Weight 319.3638 ChemAxon
Monoisotopic Weight 319.154543579 ChemAxon
SMILES NC1=C2C(=NC=N1)N(N=C2C1=CC2=C(NC=C2)N=C1)C1CCCC1 ChemAxon
Molecular Formula C17H17N7 ChemAxon
InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22) ChemAxon
InChIKey InChIKey=NVRXTLZYXZNATH-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 98.3 ChemAxon
Refractivity 102.98 ChemAxon
Polarizability 34.55 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.95 ChemAxon
pKa (strongest basic) 6.57 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Proto-oncogene tyrosine-protein kinase Src : in Human