methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate

C29H30FN7O5 — CID 135226294

About methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate

methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate (PubChem CID 135226294) has the molecular formula C29H30FN7O5 and a molecular weight of 575.60 g/mol. Its IUPAC name is methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate
• PubChem CID: 135226294
• Molecular Formula: C29H30FN7O5
• Molecular Weight: 575.60 g/mol
• Exact Mass: 575.23
• IUPAC Name: methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccnc(C(=O)OC)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C29H30FN7O5/c1-18-25(19-9-11-31-22(15-19)28(38)41-3)35-37(21-7-5-4-6-8-21)27(18)34-29(39)33-23-17-36(13-14-40-2)42-26(23)20-10-12-32-24(30)16-20/h4-12,15-16,23,26H,13-14,17H2,1-3H3,(H2,33,34,39)/t23-,26+/m1/s1
• InChIKey: OLFOYQGSNLAVLJ-BVAGGSTKSA-N
• XLogP: 3.69
• TPSA: 132.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
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 methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

The IUPAC name of methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate (CID 135226294) is methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

The canonical SMILES for methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccnc(C(=O)OC)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

The InChIKey is OLFOYQGSNLAVLJ-BVAGGSTKSA-N. The full InChI is InChI=1S/C29H30FN7O5/c1-18-25(19-9-11-31-22(15-19)28(38)41-3)35-37(21-7-5-4-6-8-21)27(18)34-29(39)33-23-17-36(13-14-40-2)42-26(23)20-10-12-32-24(30)16-20/h4-12,15-16,23,26H,13-14,17H2,1-3H3,(H2,33,34,39)/t23-,26+/m1/s1.

What are the key properties of methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate?

methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate has a molecular weight of 575.60 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate is sourced from PubChem (CID 135226294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).