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]-N,2-dimethoxypyridine-3-carboxamide

C32H35FN6O6 — CID 147183090

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]-N,2-dimethoxypyridine-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]-N,2-dimethoxypyridine-3-carboxamide (PubChem CID 147183090) has the molecular formula C32H35FN6O6 and a molecular weight of 618.67 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]-N,2-dimethoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 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]-N,2-dimethoxypyridine-3-carboxamide
• PubChem CID: 147183090
• Molecular Formula: C32H35FN6O6
• Molecular Weight: 618.67 g/mol
• Exact Mass: 618.26
• IUPAC Name: 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]-N,2-dimethoxypyridine-3-carboxamide
• SMILES: COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)NOC)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C32H35FN6O6/c1-20-27(17-25(40)14-23-19-38(12-13-42-2)45-30(23)21-10-11-34-28(33)16-21)39(24-8-6-5-7-9-24)36-29(20)22-15-26(31(41)37-44-4)32(43-3)35-18-22/h5-11,15-16,18,23,30H,12-14,17,19H2,1-4H3,(H,37,41)/t23-,30+/m1/s1
• InChIKey: BZYTZZDKOQEARG-DJUQAAIZSA-N
• XLogP: 3.83
• TPSA: 129.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.67
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

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]-N,2-dimethoxypyridine-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]-N,2-dimethoxypyridine-3-carboxamide (CID 147183090) 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]-N,2-dimethoxypyridine-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]-N,2-dimethoxypyridine-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]-N,2-dimethoxypyridine-3-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)NOC)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]-N,2-dimethoxypyridine-3-carboxamide?

The InChIKey is BZYTZZDKOQEARG-DJUQAAIZSA-N. The full InChI is InChI=1S/C32H35FN6O6/c1-20-27(17-25(40)14-23-19-38(12-13-42-2)45-30(23)21-10-11-34-28(33)16-21)39(24-8-6-5-7-9-24)36-29(20)22-15-26(31(41)37-44-4)32(43-3)35-18-22/h5-11,15-16,18,23,30H,12-14,17,19H2,1-4H3,(H,37,41)/t23-,30+/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]-N,2-dimethoxypyridine-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]-N,2-dimethoxypyridine-3-carboxamide has a molecular weight of 618.67 g/mol, XLogP of 3.83, 13 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]-N,2-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 147183090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).