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

C30H33FN8O6 — CID 135230661

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

5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 135230661) has the molecular formula C30H33FN8O6 and a molecular weight of 620.64 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 135230661
• Molecular Formula: C30H33FN8O6
• Molecular Weight: 620.64 g/mol
• Exact Mass: 620.25
• IUPAC Name: 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(N)=O)c3)nn2-c2ccccc2)[C@H](c2cnc(OC)c(F)c2)O1
• InChI: InChI=1S/C30H33FN8O6/c1-17-24(18-12-21(26(32)40)28(43-3)33-14-18)37-39(20-8-6-5-7-9-20)27(17)36-30(41)35-23-16-38(10-11-42-2)45-25(23)19-13-22(31)29(44-4)34-15-19/h5-9,12-15,23,25H,10-11,16H2,1-4H3,(H2,32,40)(H2,35,36,41)/t23-,25+/m1/s1
• InChIKey: MEKMAUVQAWKWOH-NOZRDPDXSA-N
• XLogP: 3.02
• TPSA: 167.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.64
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide (CID 135230661) is 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide.

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

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

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

The InChIKey is MEKMAUVQAWKWOH-NOZRDPDXSA-N. The full InChI is InChI=1S/C30H33FN8O6/c1-17-24(18-12-21(26(32)40)28(43-3)33-14-18)37-39(20-8-6-5-7-9-20)27(17)36-30(41)35-23-16-38(10-11-42-2)45-25(23)19-13-22(31)29(44-4)34-15-19/h5-9,12-15,23,25H,10-11,16H2,1-4H3,(H2,32,40)(H2,35,36,41)/t23-,25+/m1/s1.

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

5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 620.64 g/mol, XLogP of 3.02, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[(4R,5S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135230661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).