2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid

C27H27F3N2O4 — CID 67433725

IUPAC2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid
SMILESO=C(O)COCC1CCC(Cc2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)n[nH]c2=O)CC1
InChIInChI=1S/C27H27F3N2O4/c28-27(29,30)21-12-10-20(11-13-21)25-24(19-4-2-1-3-5-19)22(26(35)32-31-25)14-17-6-8-18(9-7-17)15-36-16-23(33)34/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,35)(H,33,34)
InChIKeyFVXBBRBJNCBFTE-UHFFFAOYSA-N
MW500.52 g/mol
LogP5.57
Rot. Bonds8

About 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid

2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid (PubChem CID 67433725) has the molecular formula C27H27F3N2O4 and a molecular weight of 500.52 g/mol. Its IUPAC name is 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid
PubChem CID67433725
Molecular FormulaC27H27F3N2O4
Molecular Weight500.52 g/mol
Exact Mass500.19
IUPAC Name2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid
SMILESO=C(O)COCC1CCC(Cc2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)n[nH]c2=O)CC1
InChIInChI=1S/C27H27F3N2O4/c28-27(29,30)21-12-10-20(11-13-21)25-24(19-4-2-1-3-5-19)22(26(35)32-31-25)14-17-6-8-18(9-7-17)15-36-16-23(33)34/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,35)(H,33,34)
InChIKeyFVXBBRBJNCBFTE-UHFFFAOYSA-N
XLogP5.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid 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 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid (CID 67433725) is 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid is O=C(O)COCC1CCC(Cc2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)n[nH]c2=O)CC1.
What is the InChIKey of 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid?
The InChIKey is FVXBBRBJNCBFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O4/c28-27(29,30)21-12-10-20(11-13-21)25-24(19-4-2-1-3-5-19)22(26(35)32-31-25)14-17-6-8-18(9-7-17)15-36-16-23(33)34/h1-5,10-13,17-18H,6-9,14-16H2,(H,32,35)(H,33,34).
What are the key properties of 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid?
2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid has a molecular weight of 500.52 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[6-oxo-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridazin-5-yl]methyl]cyclohexyl]methoxy]acetic acid is sourced from PubChem (CID 67433725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).