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-methoxyethyl)-3-methylpyridine-2-carboxamide

C34H39FN6O5 — CID 160585727

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-methoxyethyl)-3-methylpyridine-2-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-methoxyethyl)-3-methylpyridine-2-carboxamide (PubChem CID 160585727) has the molecular formula C34H39FN6O5 and a molecular weight of 630.72 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-methoxyethyl)-3-methylpyridine-2-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-methoxyethyl)-3-methylpyridine-2-carboxamide
• PubChem CID: 160585727
• Molecular Formula: C34H39FN6O5
• Molecular Weight: 630.72 g/mol
• Exact Mass: 630.30
• 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-methoxyethyl)-3-methylpyridine-2-carboxamide
• SMILES: COCCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C
• InChI: InChI=1S/C34H39FN6O5/c1-22-16-25(20-38-31(22)34(43)37-12-14-44-3)32-23(2)29(41(39-32)27-8-6-5-7-9-27)19-28(42)17-26-21-40(13-15-45-4)46-33(26)24-10-11-36-30(35)18-24/h5-11,16,18,20,26,33H,12-15,17,19,21H2,1-4H3,(H,37,43)/t26-,33+/m1/s1
• InChIKey: RCJBXBHPANZGIU-NYFMKLKXSA-N
• XLogP: 4.21
• TPSA: 120.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.72
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methoxyethyl)-3-methylpyridine-2-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-methoxyethyl)-3-methylpyridine-2-carboxamide (CID 160585727) 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-methoxyethyl)-3-methylpyridine-2-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-methoxyethyl)-3-methylpyridine-2-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-methoxyethyl)-3-methylpyridine-2-carboxamide is COCCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C.

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-methoxyethyl)-3-methylpyridine-2-carboxamide?

The InChIKey is RCJBXBHPANZGIU-NYFMKLKXSA-N. The full InChI is InChI=1S/C34H39FN6O5/c1-22-16-25(20-38-31(22)34(43)37-12-14-44-3)32-23(2)29(41(39-32)27-8-6-5-7-9-27)19-28(42)17-26-21-40(13-15-45-4)46-33(26)24-10-11-36-30(35)18-24/h5-11,16,18,20,26,33H,12-15,17,19,21H2,1-4H3,(H,37,43)/t26-,33+/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-methoxyethyl)-3-methylpyridine-2-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-methoxyethyl)-3-methylpyridine-2-carboxamide has a molecular weight of 630.72 g/mol, XLogP of 4.21, 14 rotatable bonds, 1 hydrogen bond donors, and 10 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-methoxyethyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 160585727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).