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

C25H26FN5O4 — CID 10195606

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

N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10195606) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10195606
• Molecular Formula: C25H26FN5O4
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cnn(COCc5ccccc5)c4C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H26FN5O4/c1-17(32)27-11-21-13-30(25(33)35-21)20-7-8-23(22(26)9-20)29-12-19-10-28-31(24(19)14-29)16-34-15-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3,(H,27,32)/t21-/m0/s1
• InChIKey: WBJCAGFLCPAZND-NRFANRHFSA-N
• XLogP: 3.18
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	3.18
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-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10195606) is N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]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-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cnn(COCc5ccccc5)c4C3)c(F)c2)C(=O)O1.

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

The InChIKey is WBJCAGFLCPAZND-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-17(32)27-11-21-13-30(25(33)35-21)20-7-8-23(22(26)9-20)29-12-19-10-28-31(24(19)14-29)16-34-15-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3,(H,27,32)/t21-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 479.51 g/mol, XLogP of 3.18, 8 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-[1-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10195606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).