R121919   

GtoPdb Ligand ID: 3520

Synonyms: R 121919 | R-121919
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 49.56
Molecular weight 380.27
XLogP 5.51
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC
Isomeric SMILES CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC
InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
InChI Key ANNRUWYFVIGKHA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(6-dimethylamino-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[5,1-b]pyrimidin-7-amine
Synonyms
R 121919 | R-121919
Database Links
CAS Registry No. 195055-03-9 (source: Scifinder)
ChEMBL Ligand CHEMBL309138
GtoPdb PubChem SID 53801047
PubChem CID 9821250
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