N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide

C31H27FN6O4 — CID 54769272

IUPACN-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C31H27FN6O4/c1-2-41-27-18-25(37-15-16-42-31(37)40)12-13-26(27)34-30-35-28-14-7-22(19-38(28)36-30)21-5-10-24(11-6-21)33-29(39)17-20-3-8-23(32)9-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(H,34,36)
InChIKeyPGZQARRAOFSUKW-UHFFFAOYSA-N
MW566.59 g/mol
LogP5.82
Rot. Bonds9

About N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 54769272) has the molecular formula C31H27FN6O4 and a molecular weight of 566.59 g/mol. Its IUPAC name is N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID54769272
Molecular FormulaC31H27FN6O4
Molecular Weight566.59 g/mol
Exact Mass566.21
IUPAC NameN-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C31H27FN6O4/c1-2-41-27-18-25(37-15-16-42-31(37)40)12-13-26(27)34-30-35-28-14-7-22(19-38(28)36-30)21-5-10-24(11-6-21)33-29(39)17-20-3-8-23(32)9-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(H,34,36)
InChIKeyPGZQARRAOFSUKW-UHFFFAOYSA-N
XLogP5.82
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.59
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)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-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 54769272) is N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is CCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PGZQARRAOFSUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6O4/c1-2-41-27-18-25(37-15-16-42-31(37)40)12-13-26(27)34-30-35-28-14-7-22(19-38(28)36-30)21-5-10-24(11-6-21)33-29(39)17-20-3-8-23(32)9-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(H,34,36).
What are the key properties of N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 566.59 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-ethoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 54769272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).