5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide

C36H41FN6O6 — CID 149326073

IUPAC5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)NC4CCOCC4)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C36H41FN6O6/c1-23-31(20-29(44)17-26-22-42(13-16-47-3)49-34(26)24-9-12-38-32(37)19-24)43(28-7-5-4-6-8-28)40-33(23)25-18-30(36(46)41(2)21-25)35(45)39-27-10-14-48-15-11-27/h4-9,12,18-19,21,26-27,34H,10-11,13-17,20,22H2,1-3H3,(H,39,45)/t26-,34+/m1/s1
InChIKeyYBJVBHZGIXHOCQ-SFRLIIPVSA-N
MW672.76 g/mol
LogP3.74
Rot. Bonds12

About 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide

5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide (PubChem CID 149326073) has the molecular formula C36H41FN6O6 and a molecular weight of 672.76 g/mol. Its IUPAC name is 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide
PubChem CID149326073
Molecular FormulaC36H41FN6O6
Molecular Weight672.76 g/mol
Exact Mass672.31
IUPAC Name5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)NC4CCOCC4)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C36H41FN6O6/c1-23-31(20-29(44)17-26-22-42(13-16-47-3)49-34(26)24-9-12-38-32(37)19-24)43(28-7-5-4-6-8-28)40-33(23)25-18-30(36(46)41(2)21-25)35(45)39-27-10-14-48-15-11-27/h4-9,12,18-19,21,26-27,34H,10-11,13-17,20,22H2,1-3H3,(H,39,45)/t26-,34+/m1/s1
InChIKeyYBJVBHZGIXHOCQ-SFRLIIPVSA-N
XLogP3.74
TPSA129.81 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide (CID 149326073) is 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)NC4CCOCC4)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is YBJVBHZGIXHOCQ-SFRLIIPVSA-N. The full InChI is InChI=1S/C36H41FN6O6/c1-23-31(20-29(44)17-26-22-42(13-16-47-3)49-34(26)24-9-12-38-32(37)19-24)43(28-7-5-4-6-8-28)40-33(23)25-18-30(36(46)41(2)21-25)35(45)39-27-10-14-48-15-11-27/h4-9,12,18-19,21,26-27,34H,10-11,13-17,20,22H2,1-3H3,(H,39,45)/t26-,34+/m1/s1.
What are the key properties of 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide?
5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 672.76 g/mol, XLogP of 3.74, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(oxan-4-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 149326073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).