[11C]-3-(6-(dimethylamino)pyridin-3-yl)-N,N-bis(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

ID: ALA2349557

Chembl Id: CHEMBL2349557

PubChem CID: 71717166

Max Phase: Preclinical

Molecular Formula: C21H30N6O2

Molecular Weight: 398.51

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  COCCN(CCO[11CH3])c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12

Standard InChI:  InChI=1S/C21H30N6O2/c1-15-13-19(26(9-11-28-5)10-12-29-6)27-21(23-15)20(16(2)24-27)17-7-8-18(22-14-17)25(3)4/h7-8,13-14H,9-12H2,1-6H3/i5-1

Standard InChI Key:  PBOIKIWQJQBJHI-SFIIULIVSA-N

Associated Targets(non-human)

Baboon (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 398.51Molecular Weight (Monoisotopic): 398.2430AlogP: 2.57#Rotatable Bonds: 9
Polar Surface Area: 68.02Molecular Species: NEUTRALHBA: 8HBD:
#RO5 Violations: HBA (Lipinski): 8HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 5.72CX LogP: 2.15CX LogD: 2.14
Aromatic Rings: 3Heavy Atoms: 29QED Weighted: 0.55Np Likeness Score: -1.58

References

1. Denhart DJ, Zuev D, Ditta JL, Hartz RA, Ahuja VT, Mattson RJ, Huang H, Mattson GK, Zueva L, Nielsen JM, Kozlowski ES, Lodge NJ, Bronson JJ, Macor JE..  (2013)  Potential CRF1R PET imaging agents: 1-fluoroalkylsubstituted 5-halo-3-(arylamino)pyrazin-2(1H)-ones.,  23  (7): [PMID:23465610] [10.1016/j.bmcl.2013.02.009]

Source