1-[3-[2-(cyclopropylmethoxy)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

C32H35FN6O4 — CID 147156056

About 1-[3-[2-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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 147156056) has the molecular formula C32H35FN6O4 and a molecular weight of 586.67 g/mol. Its IUPAC name is 1-[3-[2-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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: 147156056
• Molecular Formula: C32H35FN6O4
• Molecular Weight: 586.67 g/mol
• Exact Mass: 586.27
• IUPAC Name: 1-[3-[2-(cyclopropylmethoxy)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(OCC4CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C32H35FN6O4/c1-21-28(16-27(40)14-24-19-38(12-13-41-2)43-31(24)23-10-11-34-29(33)15-23)39(26-6-4-3-5-7-26)37-30(21)25-17-35-32(36-18-25)42-20-22-8-9-22/h3-7,10-11,15,17-18,22,24,31H,8-9,12-14,16,19-20H2,1-2H3/t24-,31+/m1/s1
• InChIKey: BUXQMTFFVLZGKS-XJFCNFDWSA-N
• XLogP: 4.71
• TPSA: 104.49 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.67
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
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 1-[3-[2-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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 147156056) is 1-[3-[2-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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(OCC4CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 1-[3-[2-(cyclopropylmethoxy)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 BUXQMTFFVLZGKS-XJFCNFDWSA-N. The full InChI is InChI=1S/C32H35FN6O4/c1-21-28(16-27(40)14-24-19-38(12-13-41-2)43-31(24)23-10-11-34-29(33)15-23)39(26-6-4-3-5-7-26)37-30(21)25-17-35-32(36-18-25)42-20-22-8-9-22/h3-7,10-11,15,17-18,22,24,31H,8-9,12-14,16,19-20H2,1-2H3/t24-,31+/m1/s1.

What are the key properties of 1-[3-[2-(cyclopropylmethoxy)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-(cyclopropylmethoxy)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 586.67 g/mol, XLogP of 4.71, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(cyclopropylmethoxy)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 147156056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).