6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one

C24H23F3N2O4 — CID 159264746

IUPAC6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one
SMILESC[C@H](CC(=O)c1cc(-c2ccc(OC(F)F)cc2)nn(-c2cccc(F)c2)c1=O)C(C)(C)O
InChIInChI=1S/C24H23F3N2O4/c1-14(24(2,3)32)11-21(30)19-13-20(15-7-9-18(10-8-15)33-23(26)27)28-29(22(19)31)17-6-4-5-16(25)12-17/h4-10,12-14,23,32H,11H2,1-3H3/t14-/m1/s1
InChIKeyKWYOOSMYDRTYDU-CQSZACIVSA-N
MW460.45 g/mol
LogP4.62
Rot. Bonds8

About 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one

6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one (PubChem CID 159264746) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one
PubChem CID159264746
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one
SMILESC[C@H](CC(=O)c1cc(-c2ccc(OC(F)F)cc2)nn(-c2cccc(F)c2)c1=O)C(C)(C)O
InChIInChI=1S/C24H23F3N2O4/c1-14(24(2,3)32)11-21(30)19-13-20(15-7-9-18(10-8-15)33-23(26)27)28-29(22(19)31)17-6-4-5-16(25)12-17/h4-10,12-14,23,32H,11H2,1-3H3/t14-/m1/s1
InChIKeyKWYOOSMYDRTYDU-CQSZACIVSA-N
XLogP4.62
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one (CID 159264746) is 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one is C[C@H](CC(=O)c1cc(-c2ccc(OC(F)F)cc2)nn(-c2cccc(F)c2)c1=O)C(C)(C)O.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one?
The InChIKey is KWYOOSMYDRTYDU-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-14(24(2,3)32)11-21(30)19-13-20(15-7-9-18(10-8-15)33-23(26)27)28-29(22(19)31)17-6-4-5-16(25)12-17/h4-10,12-14,23,32H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one?
6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one has a molecular weight of 460.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-4-[(3R)-4-hydroxy-3,4-dimethylpentanoyl]pyridazin-3-one is sourced from PubChem (CID 159264746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).