N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H24FN5O5 — CID 10151260

About N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10151260) has the molecular formula C20H24FN5O5 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10151260
• Molecular Formula: C20H24FN5O5
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.18
• IUPAC Name: N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(C[C@H](O)CO)nc4C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C20H24FN5O5/c1-12(28)22-5-16-9-26(20(30)31-16)14-2-3-19(17(21)4-14)24-6-13-7-25(8-15(29)11-27)23-18(13)10-24/h2-4,7,15-16,27,29H,5-6,8-11H2,1H3,(H,22,28)/t15-,16-/m0/s1
• InChIKey: ZWPLFPSAZMLNTK-HOTGVXAUSA-N
• XLogP: 0.36
• TPSA: 120.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10151260) is N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(C[C@H](O)CO)nc4C3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is ZWPLFPSAZMLNTK-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H24FN5O5/c1-12(28)22-5-16-9-26(20(30)31-16)14-2-3-19(17(21)4-14)24-6-13-7-25(8-15(29)11-27)23-18(13)10-24/h2-4,7,15-16,27,29H,5-6,8-11H2,1H3,(H,22,28)/t15-,16-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 433.44 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[2-[(2S)-2,3-dihydroxypropyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10151260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).