2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

C25H20F2N2O3 — CID 18369356

IUPAC2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccc(F)c(F)c3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20F2N2O3/c1-31-19-8-4-17(5-9-19)21-14-24(30)29(15-16-3-12-22(26)23(27)13-16)28-25(21)18-6-10-20(32-2)11-7-18/h3-14H,15H2,1-2H3
InChIKeySRZYHDXKYGVKNZ-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.92
Rot. Bonds6

About 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (PubChem CID 18369356) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
PubChem CID18369356
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccc(F)c(F)c3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20F2N2O3/c1-31-19-8-4-17(5-9-19)21-14-24(30)29(15-16-3-12-22(26)23(27)13-16)28-25(21)18-6-10-20(32-2)11-7-18/h3-14H,15H2,1-2H3
InChIKeySRZYHDXKYGVKNZ-UHFFFAOYSA-N
XLogP4.92
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (CID 18369356) is 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(Cc3ccc(F)c(F)c3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is SRZYHDXKYGVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c1-31-19-8-4-17(5-9-19)21-14-24(30)29(15-16-3-12-22(26)23(27)13-16)28-25(21)18-6-10-20(32-2)11-7-18/h3-14H,15H2,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 434.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 18369356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).