1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one

C22H15F2N5O — CID 58447886

IUPAC1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one
SMILESO=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Cc1ccc(-c2cccnn2)cn1
InChIInChI=1S/C22H15F2N5O/c23-19-9-14(12-27-22(19)15-5-7-25-21(24)10-15)8-18(30)11-17-4-3-16(13-26-17)20-2-1-6-28-29-20/h1-7,9-10,12-13H,8,11H2
InChIKeyFGXHUEVHNJMZJE-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.63
Rot. Bonds6

About 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one

1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one (PubChem CID 58447886) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one
PubChem CID58447886
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one
SMILESO=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Cc1ccc(-c2cccnn2)cn1
InChIInChI=1S/C22H15F2N5O/c23-19-9-14(12-27-22(19)15-5-7-25-21(24)10-15)8-18(30)11-17-4-3-16(13-26-17)20-2-1-6-28-29-20/h1-7,9-10,12-13H,8,11H2
InChIKeyFGXHUEVHNJMZJE-UHFFFAOYSA-N
XLogP3.63
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one 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 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one (CID 58447886) is 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one is O=C(Cc1cnc(-c2ccnc(F)c2)c(F)c1)Cc1ccc(-c2cccnn2)cn1.
What is the InChIKey of 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one?
The InChIKey is FGXHUEVHNJMZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c23-19-9-14(12-27-22(19)15-5-7-25-21(24)10-15)8-18(30)11-17-4-3-16(13-26-17)20-2-1-6-28-29-20/h1-7,9-10,12-13H,8,11H2.
What are the key properties of 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one?
1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one has a molecular weight of 403.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-3-(5-pyridazin-3-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 58447886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).