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

C29H31FN8O5 — CID 135230583

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

5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide (PubChem CID 135230583) has the molecular formula C29H31FN8O5 and a molecular weight of 590.62 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide
• PubChem CID: 135230583
• Molecular Formula: C29H31FN8O5
• Molecular Weight: 590.62 g/mol
• Exact Mass: 590.24
• IUPAC Name: 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(N)=O)c(OC)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C29H31FN8O5/c1-17-24(19-13-22(42-3)25(27(31)39)33-15-19)36-38(20-7-5-4-6-8-20)28(17)35-29(40)34-21-16-37(11-12-41-2)43-26(21)18-9-10-32-23(30)14-18/h4-10,13-15,21,26H,11-12,16H2,1-3H3,(H2,31,39)(H2,34,35,40)/t21-,26+/m1/s1
• InChIKey: YPPVWFLPXVUUEH-RLWLMLJZSA-N
• XLogP: 3.01
• TPSA: 158.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.62
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
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-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide?

The IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide (CID 135230583) is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide.

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

The canonical SMILES for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(N)=O)c(OC)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

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

The InChIKey is YPPVWFLPXVUUEH-RLWLMLJZSA-N. The full InChI is InChI=1S/C29H31FN8O5/c1-17-24(19-13-22(42-3)25(27(31)39)33-15-19)36-38(20-7-5-4-6-8-20)28(17)35-29(40)34-21-16-37(11-12-41-2)43-26(21)18-9-10-32-23(30)14-18/h4-10,13-15,21,26H,11-12,16H2,1-3H3,(H2,31,39)(H2,34,35,40)/t21-,26+/m1/s1.

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

5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide has a molecular weight of 590.62 g/mol, XLogP of 3.01, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 135230583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).