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

C30H25FN6O4 — CID 54769271

IUPAC2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H25FN6O4/c1-40-26-17-24(36-14-15-41-30(36)39)11-12-25(26)33-29-34-27-13-6-21(18-37(27)35-29)20-4-9-23(10-5-20)32-28(38)16-19-2-7-22(31)8-3-19/h2-13,17-18H,14-16H2,1H3,(H,32,38)(H,33,35)
InChIKeyFCUBJFUNAHNFSY-UHFFFAOYSA-N
MW552.57 g/mol
LogP5.43
Rot. Bonds8

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

2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54769271) has the molecular formula C30H25FN6O4 and a molecular weight of 552.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54769271
Molecular FormulaC30H25FN6O4
Molecular Weight552.57 g/mol
Exact Mass552.19
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H25FN6O4/c1-40-26-17-24(36-14-15-41-30(36)39)11-12-25(26)33-29-34-27-13-6-21(18-37(27)35-29)20-4-9-23(10-5-20)32-28(38)16-19-2-7-22(31)8-3-19/h2-13,17-18H,14-16H2,1H3,(H,32,38)(H,33,35)
InChIKeyFCUBJFUNAHNFSY-UHFFFAOYSA-N
XLogP5.43
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.57
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]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 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54769271) is 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is COc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is FCUBJFUNAHNFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O4/c1-40-26-17-24(36-14-15-41-30(36)39)11-12-25(26)33-29-34-27-13-6-21(18-37(27)35-29)20-4-9-23(10-5-20)32-28(38)16-19-2-7-22(31)8-3-19/h2-13,17-18H,14-16H2,1H3,(H,32,38)(H,33,35).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 552.57 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54769271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).