5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide

C31H32F2N6O5 — CID 146850168

About 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide

5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 146850168) has the molecular formula C31H32F2N6O5 and a molecular weight of 606.63 g/mol. Its IUPAC name is 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-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: 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 146850168
• Molecular Formula: C31H32F2N6O5
• Molecular Weight: 606.63 g/mol
• Exact Mass: 606.24
• IUPAC Name: 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide
• SMILES: COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(N)=O)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
• InChI: InChI=1S/C31H32F2N6O5/c1-18-26(14-23(40)11-21-17-38(9-10-42-2)44-28(21)20-13-25(32)29(33)35-16-20)39(22-7-5-4-6-8-22)37-27(18)19-12-24(30(34)41)31(43-3)36-15-19/h4-8,12-13,15-16,21,28H,9-11,14,17H2,1-3H3,(H2,34,41)/t21-,28+/m1/s1
• InChIKey: SIKNKCXUGCBIEK-PIKZIKFNSA-N
• XLogP: 3.78
• TPSA: 134.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.63
LogP ≤ 5	3.78
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 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-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 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide (CID 146850168) is 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-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 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-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 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(N)=O)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.

What is the InChIKey of 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide?

The InChIKey is SIKNKCXUGCBIEK-PIKZIKFNSA-N. The full InChI is InChI=1S/C31H32F2N6O5/c1-18-26(14-23(40)11-21-17-38(9-10-42-2)44-28(21)20-13-25(32)29(33)35-16-20)39(22-7-5-4-6-8-22)37-27(18)19-12-24(30(34)41)31(43-3)36-15-19/h4-8,12-13,15-16,21,28H,9-11,14,17H2,1-3H3,(H2,34,41)/t21-,28+/m1/s1.

What are the key properties of 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide?

5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-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 606.63 g/mol, XLogP of 3.78, 12 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-(5,6-difluoro-3-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 146850168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).