N-ethyl-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]-2-methoxypyridine-3-carboxamide

C33H37FN6O5 — CID 158721866

About N-ethyl-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]-2-methoxypyridine-3-carboxamide

N-ethyl-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]-2-methoxypyridine-3-carboxamide (PubChem CID 158721866) has the molecular formula C33H37FN6O5 and a molecular weight of 616.69 g/mol. Its IUPAC name is N-ethyl-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]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-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]-2-methoxypyridine-3-carboxamide
• PubChem CID: 158721866
• Molecular Formula: C33H37FN6O5
• Molecular Weight: 616.69 g/mol
• Exact Mass: 616.28
• IUPAC Name: N-ethyl-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]-2-methoxypyridine-3-carboxamide
• SMILES: CCNC(=O)c1cc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC
• InChI: InChI=1S/C33H37FN6O5/c1-5-35-32(42)27-16-23(19-37-33(27)44-4)30-21(2)28(40(38-30)25-9-7-6-8-10-25)18-26(41)15-24-20-39(13-14-43-3)45-31(24)22-11-12-36-29(34)17-22/h6-12,16-17,19,24,31H,5,13-15,18,20H2,1-4H3,(H,35,42)/t24-,31+/m1/s1
• InChIKey: IKAARNSMSGZTRU-XJFCNFDWSA-N
• XLogP: 4.29
• TPSA: 120.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.69
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-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]-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-ethyl-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]-2-methoxypyridine-3-carboxamide (CID 158721866) is N-ethyl-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]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-ethyl-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]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-ethyl-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]-2-methoxypyridine-3-carboxamide is CCNC(=O)c1cc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC.

What is the InChIKey of N-ethyl-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]-2-methoxypyridine-3-carboxamide?

The InChIKey is IKAARNSMSGZTRU-XJFCNFDWSA-N. The full InChI is InChI=1S/C33H37FN6O5/c1-5-35-32(42)27-16-23(19-37-33(27)44-4)30-21(2)28(40(38-30)25-9-7-6-8-10-25)18-26(41)15-24-20-39(13-14-43-3)45-31(24)22-11-12-36-29(34)17-22/h6-12,16-17,19,24,31H,5,13-15,18,20H2,1-4H3,(H,35,42)/t24-,31+/m1/s1.

What are the key properties of N-ethyl-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]-2-methoxypyridine-3-carboxamide?

N-ethyl-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]-2-methoxypyridine-3-carboxamide has a molecular weight of 616.69 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-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]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 158721866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).