5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

C29H30F2N8O4 — CID 135230385

About 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide (PubChem CID 135230385) has the molecular formula C29H30F2N8O4 and a molecular weight of 592.61 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
• PubChem CID: 135230385
• Molecular Formula: C29H30F2N8O4
• Molecular Weight: 592.61 g/mol
• Exact Mass: 592.24
• IUPAC Name: 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(N)=O)c(C)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
• InChI: InChI=1S/C29H30F2N8O4/c1-16-11-18(13-33-23(16)27(32)40)24-17(2)28(39(37-24)20-7-5-4-6-8-20)36-29(41)35-22-15-38(9-10-42-3)43-25(22)19-12-21(30)26(31)34-14-19/h4-8,11-14,22,25H,9-10,15H2,1-3H3,(H2,32,40)(H2,35,36,41)/t22-,25+/m1/s1
• InChIKey: KIABFPLGVUHAEU-RDGATRHJSA-N
• XLogP: 3.45
• TPSA: 149.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.61
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
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 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?

The IUPAC name of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide (CID 135230385) is 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(N)=O)c(C)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.

What is the InChIKey of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?

The InChIKey is KIABFPLGVUHAEU-RDGATRHJSA-N. The full InChI is InChI=1S/C29H30F2N8O4/c1-16-11-18(13-33-23(16)27(32)40)24-17(2)28(39(37-24)20-7-5-4-6-8-20)36-29(41)35-22-15-38(9-10-42-3)43-25(22)19-12-21(30)26(31)34-14-19/h4-8,11-14,22,25H,9-10,15H2,1-3H3,(H2,32,40)(H2,35,36,41)/t22-,25+/m1/s1.

What are the key properties of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?

5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 592.61 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 135230385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).