2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide

C25H30F2N4O5 — CID 66899399

IUPAC2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
SMILESCC(C)(O)Cn1ccc(NC(=O)C(CC2CCCCO2)N2CC(Oc3c(F)cccc3F)=CC2=O)n1
InChIInChI=1S/C25H30F2N4O5/c1-25(2,34)15-30-10-9-21(29-30)28-24(33)20(12-16-6-3-4-11-35-16)31-14-17(13-22(31)32)36-23-18(26)7-5-8-19(23)27/h5,7-10,13,16,20,34H,3-4,6,11-12,14-15H2,1-2H3,(H,28,29,33)
InChIKeyHRGLYTAAUJCKBQ-UHFFFAOYSA-N
MW504.53 g/mol
LogP3.00
Rot. Bonds9

About 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide

2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide (PubChem CID 66899399) has the molecular formula C25H30F2N4O5 and a molecular weight of 504.53 g/mol. Its IUPAC name is 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound Name2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
PubChem CID66899399
Molecular FormulaC25H30F2N4O5
Molecular Weight504.53 g/mol
Exact Mass504.22
IUPAC Name2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
SMILESCC(C)(O)Cn1ccc(NC(=O)C(CC2CCCCO2)N2CC(Oc3c(F)cccc3F)=CC2=O)n1
InChIInChI=1S/C25H30F2N4O5/c1-25(2,34)15-30-10-9-21(29-30)28-24(33)20(12-16-6-3-4-11-35-16)31-14-17(13-22(31)32)36-23-18(26)7-5-8-19(23)27/h5,7-10,13,16,20,34H,3-4,6,11-12,14-15H2,1-2H3,(H,28,29,33)
InChIKeyHRGLYTAAUJCKBQ-UHFFFAOYSA-N
XLogP3.00
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide 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-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide?
The IUPAC name of 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide (CID 66899399) is 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide is CC(C)(O)Cn1ccc(NC(=O)C(CC2CCCCO2)N2CC(Oc3c(F)cccc3F)=CC2=O)n1.
What is the InChIKey of 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide?
The InChIKey is HRGLYTAAUJCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O5/c1-25(2,34)15-30-10-9-21(29-30)28-24(33)20(12-16-6-3-4-11-35-16)31-14-17(13-22(31)32)36-23-18(26)7-5-8-19(23)27/h5,7-10,13,16,20,34H,3-4,6,11-12,14-15H2,1-2H3,(H,28,29,33).
What are the key properties of 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide?
2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide has a molecular weight of 504.53 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 66899399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).