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

C24H19FN4O — CID 58447778

IUPAC1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnnc1
InChIInChI=1S/C24H19FN4O/c1-16-9-17(13-27-24(16)20-7-8-28-29-15-20)10-23(30)12-22-6-5-19(14-26-22)18-3-2-4-21(25)11-18/h2-9,11,13-15H,10,12H2,1H3
InChIKeySWQLSWMDBIEBPQ-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.40
Rot. Bonds6

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

1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one (PubChem CID 58447778) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one
PubChem CID58447778
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one
SMILESCc1cc(CC(=O)Cc2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnnc1
InChIInChI=1S/C24H19FN4O/c1-16-9-17(13-27-24(16)20-7-8-28-29-15-20)10-23(30)12-22-6-5-19(14-26-22)18-3-2-4-21(25)11-18/h2-9,11,13-15H,10,12H2,1H3
InChIKeySWQLSWMDBIEBPQ-UHFFFAOYSA-N
XLogP4.40
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one?
The IUPAC name of 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one (CID 58447778) is 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one is Cc1cc(CC(=O)Cc2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnnc1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one?
The InChIKey is SWQLSWMDBIEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-16-9-17(13-27-24(16)20-7-8-28-29-15-20)10-23(30)12-22-6-5-19(14-26-22)18-3-2-4-21(25)11-18/h2-9,11,13-15H,10,12H2,1H3.
What are the key properties of 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one?
1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one has a molecular weight of 398.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-2-pyridinyl]-3-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)propan-2-one is sourced from PubChem (CID 58447778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).