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[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) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 398.51Molecular Weight (Monoisotopic): 398.2430AlogP: 2.57#Rotatable Bonds: 9Polar 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: 2.14Aromatic 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 ]