2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C19H16BrFN4O — CID 158494916

IUPAC2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1ccnc(Br)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H16BrFN4O/c20-18-9-13(5-6-22-18)10-19(26)24-7-8-25-17(12-24)16(11-23-25)14-1-3-15(21)4-2-14/h1-6,9,11H,7-8,10,12H2
InChIKeyHJDRIPOKFQDACO-UHFFFAOYSA-N
MW415.27 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 158494916) has the molecular formula C19H16BrFN4O and a molecular weight of 415.27 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID158494916
Molecular FormulaC19H16BrFN4O
Molecular Weight415.27 g/mol
Exact Mass414.05
IUPAC Name2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(Cc1ccnc(Br)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H16BrFN4O/c20-18-9-13(5-6-22-18)10-19(26)24-7-8-25-17(12-24)16(11-23-25)14-1-3-15(21)4-2-14/h1-6,9,11H,7-8,10,12H2
InChIKeyHJDRIPOKFQDACO-UHFFFAOYSA-N
XLogP3.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 158494916) is 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(Cc1ccnc(Br)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is HJDRIPOKFQDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN4O/c20-18-9-13(5-6-22-18)10-19(26)24-7-8-25-17(12-24)16(11-23-25)14-1-3-15(21)4-2-14/h1-6,9,11H,7-8,10,12H2.
What are the key properties of 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 415.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 158494916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).