6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one

C23H17F2N3O — CID 59484894

IUPAC6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1
InChIInChI=1S/C23H17F2N3O/c1-15-5-6-21(26-13-15)17-4-2-3-16(9-17)14-28-23(29)8-7-22(27-28)18-10-19(24)12-20(25)11-18/h2-13H,14H2,1H3
InChIKeyDOHIURUDQLXXDT-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.61
Rot. Bonds4

About 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one

6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one (PubChem CID 59484894) has the molecular formula C23H17F2N3O and a molecular weight of 389.41 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one
PubChem CID59484894
Molecular FormulaC23H17F2N3O
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1
InChIInChI=1S/C23H17F2N3O/c1-15-5-6-21(26-13-15)17-4-2-3-16(9-17)14-28-23(29)8-7-22(27-28)18-10-19(24)12-20(25)11-18/h2-13H,14H2,1H3
InChIKeyDOHIURUDQLXXDT-UHFFFAOYSA-N
XLogP4.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one (CID 59484894) is 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one is Cc1ccc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is DOHIURUDQLXXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O/c1-15-5-6-21(26-13-15)17-4-2-3-16(9-17)14-28-23(29)8-7-22(27-28)18-10-19(24)12-20(25)11-18/h2-13H,14H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one?
6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 389.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-2-pyridinyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 59484894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).