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

C20H22FN5O4 — CID 10150977

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

N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10150977) has the molecular formula C20H22FN5O4 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10150977
• Molecular Formula: C20H22FN5O4
• Molecular Weight: 415.43 g/mol
• Exact Mass: 415.17
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)Cn1cc2c(n1)CN(c1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C2
• InChI: InChI=1S/C20H22FN5O4/c1-12(27)7-25-9-14-8-24(11-18(14)23-25)19-4-3-15(5-17(19)21)26-10-16(30-20(26)29)6-22-13(2)28/h3-5,9,16H,6-8,10-11H2,1-2H3,(H,22,28)/t16-/m0/s1
• InChIKey: PRKSCIQCWOHZOL-INIZCTEOSA-N
• XLogP: 1.59
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.43
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10150977) is N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)Cn1cc2c(n1)CN(c1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C2.

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

The InChIKey is PRKSCIQCWOHZOL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FN5O4/c1-12(27)7-25-9-14-8-24(11-18(14)23-25)19-4-3-15(5-17(19)21)26-10-16(30-20(26)29)6-22-13(2)28/h3-5,9,16H,6-8,10-11H2,1-2H3,(H,22,28)/t16-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 415.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[2-(2-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10150977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).