N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide

C31H25F3N4O4 — CID 118116905

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2ccc(-c3ccccc3F)n2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C31H25F3N4O4/c1-3-41-29-16-31(40)37(2)17-23(29)22-15-20(9-11-27(22)42-28-10-8-19(32)14-25(28)34)35-30(39)18-38-13-12-26(36-38)21-6-4-5-7-24(21)33/h4-17H,3,18H2,1-2H3,(H,35,39)
InChIKeyIMPDXAWVKDJWJQ-UHFFFAOYSA-N
MW574.56 g/mol
LogP6.16
Rot. Bonds9

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide (PubChem CID 118116905) has the molecular formula C31H25F3N4O4 and a molecular weight of 574.56 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide
PubChem CID118116905
Molecular FormulaC31H25F3N4O4
Molecular Weight574.56 g/mol
Exact Mass574.18
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2ccc(-c3ccccc3F)n2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C31H25F3N4O4/c1-3-41-29-16-31(40)37(2)17-23(29)22-15-20(9-11-27(22)42-28-10-8-19(32)14-25(28)34)35-30(39)18-38-13-12-26(36-38)21-6-4-5-7-24(21)33/h4-17H,3,18H2,1-2H3,(H,35,39)
InChIKeyIMPDXAWVKDJWJQ-UHFFFAOYSA-N
XLogP6.16
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide 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 N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide (CID 118116905) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2ccc(-c3ccccc3F)n2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide?
The InChIKey is IMPDXAWVKDJWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N4O4/c1-3-41-29-16-31(40)37(2)17-23(29)22-15-20(9-11-27(22)42-28-10-8-19(32)14-25(28)34)35-30(39)18-38-13-12-26(36-38)21-6-4-5-7-24(21)33/h4-17H,3,18H2,1-2H3,(H,35,39).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide has a molecular weight of 574.56 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-[3-(2-fluorophenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 118116905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).