5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

C31H34FN7O5 — CID 135226278

About 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 135226278) has the molecular formula C31H34FN7O5 and a molecular weight of 603.66 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
• PubChem CID: 135226278
• Molecular Formula: C31H34FN7O5
• Molecular Weight: 603.66 g/mol
• Exact Mass: 603.26
• IUPAC Name: 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
• SMILES: CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3cccc(F)c3)c2C)cn(C)c1=O
• InChI: InChI=1S/C31H34FN7O5/c1-19-26(21-16-24(29(40)33-2)30(41)37(3)17-21)36-39(23-11-6-5-7-12-23)28(19)35-31(42)34-25-18-38(13-14-43-4)44-27(25)20-9-8-10-22(32)15-20/h5-12,15-17,25,27H,13-14,18H2,1-4H3,(H,33,40)(H2,34,35,42)/t25-,27+/m1/s1
• InChIKey: TWBHEIPKOBDVJL-VPUSJEBWSA-N
• XLogP: 3.17
• TPSA: 131.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.66
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?

The IUPAC name of 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 135226278) is 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3cccc(F)c3)c2C)cn(C)c1=O.

What is the InChIKey of 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?

The InChIKey is TWBHEIPKOBDVJL-VPUSJEBWSA-N. The full InChI is InChI=1S/C31H34FN7O5/c1-19-26(21-16-24(29(40)33-2)30(41)37(3)17-21)36-39(23-11-6-5-7-12-23)28(19)35-31(42)34-25-18-38(13-14-43-4)44-27(25)20-9-8-10-22(32)15-20/h5-12,15-17,25,27H,13-14,18H2,1-4H3,(H,33,40)(H2,34,35,42)/t25-,27+/m1/s1.

What are the key properties of 5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?

5-[5-[[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 603.66 g/mol, XLogP of 3.17, 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-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 135226278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).