1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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

C32H35F2N5O4 — CID 147832600

About 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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 147832600) has the molecular formula C32H35F2N5O4 and a molecular weight of 591.66 g/mol. Its IUPAC name is 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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: 147832600
• Molecular Formula: C32H35F2N5O4
• Molecular Weight: 591.66 g/mol
• Exact Mass: 591.27
• IUPAC Name: 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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(C(C)(C)O)c(F)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C32H35F2N5O4/c1-20-27(17-25(40)14-23-19-38(12-13-42-4)43-30(23)21-10-11-35-28(34)16-21)39(24-8-6-5-7-9-24)37-29(20)22-15-26(33)31(36-18-22)32(2,3)41/h5-11,15-16,18,23,30,41H,12-14,17,19H2,1-4H3/t23-,30+/m1/s1
• InChIKey: HRJVMDQIUKLWBI-DJUQAAIZSA-N
• XLogP: 4.90
• TPSA: 102.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.66
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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 147832600) is 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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(C(C)(C)O)c(F)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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 HRJVMDQIUKLWBI-DJUQAAIZSA-N. The full InChI is InChI=1S/C32H35F2N5O4/c1-20-27(17-25(40)14-23-19-38(12-13-42-4)43-30(23)21-10-11-35-28(34)16-21)39(24-8-6-5-7-9-24)37-29(20)22-15-26(33)31(36-18-22)32(2,3)41/h5-11,15-16,18,23,30,41H,12-14,17,19H2,1-4H3/t23-,30+/m1/s1.

What are the key properties of 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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 591.66 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-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 147832600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).