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

C20H24FN5O3 — CID 10135667

About N-[[(5S)-3-[3-fluoro-4-(2-propyl-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-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10135667) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(2-propyl-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-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10135667
• Molecular Formula: C20H24FN5O3
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-(2-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CCCn1cc2c(n1)CN(c1ccc(N3C[C@H](CNC(C)=O)OC3=O)cc1F)C2
• InChI: InChI=1S/C20H24FN5O3/c1-3-6-25-10-14-9-24(12-18(14)23-25)19-5-4-15(7-17(19)21)26-11-16(29-20(26)28)8-22-13(2)27/h4-5,7,10,16H,3,6,8-9,11-12H2,1-2H3,(H,22,27)/t16-/m0/s1
• InChIKey: ZLFGHRGVXWVCQW-INIZCTEOSA-N
• XLogP: 2.41
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-propyl-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-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10135667) is N-[[(5S)-3-[3-fluoro-4-(2-propyl-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-propyl-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-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCCn1cc2c(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-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is ZLFGHRGVXWVCQW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN5O3/c1-3-6-25-10-14-9-24(12-18(14)23-25)19-5-4-15(7-17(19)21)26-11-16(29-20(26)28)8-22-13(2)27/h4-5,7,10,16H,3,6,8-9,11-12H2,1-2H3,(H,22,27)/t16-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-(2-propyl-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-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-(2-propyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10135667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).