N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H25FN6O5 — CID 25212172

About N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 25212172) has the molecular formula C25H25FN6O5 and a molecular weight of 508.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 25212172
• Molecular Formula: C25H25FN6O5
• Molecular Weight: 508.51 g/mol
• Exact Mass: 508.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ncccc45)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H25FN6O5/c1-15(33)28-12-17-14-32(25(36)37-17)16-4-5-21(20(26)11-16)30-7-9-31(10-8-30)24(35)22(34)19-13-29-23-18(19)3-2-6-27-23/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,27,29)(H,28,33)/t17-/m0/s1
• InChIKey: CTGVKABJBNZZJC-KRWDZBQOSA-N
• XLogP: 1.69
• TPSA: 127.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.51
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 25212172) is N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ncccc45)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is CTGVKABJBNZZJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25FN6O5/c1-15(33)28-12-17-14-32(25(36)37-17)16-4-5-21(20(26)11-16)30-7-9-31(10-8-30)24(35)22(34)19-13-29-23-18(19)3-2-6-27-23/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,27,29)(H,28,33)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 508.51 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 25212172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).