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N-ethyl-N-(3-fluoropropyl)-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

ID: ALA1762820

Chembl Id: CHEMBL1762820

PubChem CID: 54582097

Max Phase: Preclinical

Molecular Formula: C19H25FN6O

Molecular Weight: 372.45

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCN(CCCF)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12

Standard InChI:  InChI=1S/C19H25FN6O/c1-6-25(11-7-10-20)19-23-14(4)22-18-17(13(3)24-26(18)19)15-8-9-16(27-5)21-12(15)2/h8-9H,6-7,10-11H2,1-5H3

Standard InChI Key:  IGSBLGMDGZRMAE-UHFFFAOYSA-N

Associated Targets(non-human)

Crhr1 Corticotropin releasing factor receptor 1 (741 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

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MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

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Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 372.45Molecular Weight (Monoisotopic): 372.2074AlogP: 3.31#Rotatable Bonds: 7
Polar Surface Area: 68.44Molecular Species: NEUTRALHBA: 7HBD:
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 3.06CX LogP: 3.37CX LogD: 3.37
Aromatic Rings: 3Heavy Atoms: 27QED Weighted: 0.63Np Likeness Score: -1.51

References

1. Zuev D, Mattson RJ, Huang H, Mattson GK, Zueva L, Nielsen JM, Kozlowski ES, Huang XS, Wu D, Gao Q, Lodge NJ, Bronson JJ, Macor JE..  (2011)  Potential CRF1R PET imaging agents: N-fluoroalkyl-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethyl-N-alkylpyrazolo[1,5-a][1,3,5]triazin-4-amines.,  21  (8): [PMID:21411322] [10.1016/j.bmcl.2011.02.050]

Source