1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one

C32H38FN7O4 — CID 147501049

About 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one

1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one (PubChem CID 147501049) has the molecular formula C32H38FN7O4 and a molecular weight of 603.70 g/mol. Its IUPAC name is 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
• PubChem CID: 147501049
• Molecular Formula: C32H38FN7O4
• Molecular Weight: 603.70 g/mol
• Exact Mass: 603.30
• IUPAC Name: 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
• SMILES: COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OCCN(C)C)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C32H38FN7O4/c1-22-28(18-27(41)16-24-21-39(13-14-42-4)44-31(24)23-10-11-34-29(33)17-23)40(26-8-6-5-7-9-26)37-30(22)25-19-35-32(36-20-25)43-15-12-38(2)3/h5-11,17,19-20,24,31H,12-16,18,21H2,1-4H3/t24-,31+/m1/s1
• InChIKey: FHKNZOCDTKWLMB-XJFCNFDWSA-N
• XLogP: 3.87
• TPSA: 107.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.70
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?

The IUPAC name of 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one (CID 147501049) is 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one.

What is the SMILES notation for 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?

The canonical SMILES for 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OCCN(C)C)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?

The InChIKey is FHKNZOCDTKWLMB-XJFCNFDWSA-N. The full InChI is InChI=1S/C32H38FN7O4/c1-22-28(18-27(41)16-24-21-39(13-14-42-4)44-31(24)23-10-11-34-29(33)17-23)40(26-8-6-5-7-9-26)37-30(22)25-19-35-32(36-20-25)43-15-12-38(2)3/h5-11,17,19-20,24,31H,12-16,18,21H2,1-4H3/t24-,31+/m1/s1.

What are the key properties of 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?

1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one has a molecular weight of 603.70 g/mol, XLogP of 3.87, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one is sourced from PubChem (CID 147501049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).