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

C23H29FN6O4 — CID 10195497

About N-[[(5S)-3-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10195497) has the molecular formula C23H29FN6O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10195497
• Molecular Formula: C23H29FN6O4
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.22
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(CCN5CCOCC5)nc4C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C23H29FN6O4/c1-16(31)25-11-19-14-30(23(32)34-19)18-2-3-22(20(24)10-18)28-12-17-13-29(26-21(17)15-28)5-4-27-6-8-33-9-7-27/h2-3,10,13,19H,4-9,11-12,14-15H2,1H3,(H,25,31)/t19-/m0/s1
• InChIKey: AJDYALUBAUEYKZ-IBGZPJMESA-N
• XLogP: 1.34
• TPSA: 92.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
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-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10195497) is N-[[(5S)-3-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(CCN5CCOCC5)nc4C3)c(F)c2)C(=O)O1.

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

The InChIKey is AJDYALUBAUEYKZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29FN6O4/c1-16(31)25-11-19-14-30(23(32)34-19)18-2-3-22(20(24)10-18)28-12-17-13-29(26-21(17)15-28)5-4-27-6-8-33-9-7-27/h2-3,10,13,19H,4-9,11-12,14-15H2,1H3,(H,25,31)/t19-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[2-(2-morpholin-4-ylethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10195497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).