methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C26H29FN8O6 — CID 46196410

About methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 46196410) has the molecular formula C26H29FN8O6 and a molecular weight of 568.57 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 46196410
• Molecular Formula: C26H29FN8O6
• Molecular Weight: 568.57 g/mol
• Exact Mass: 568.22
• IUPAC Name: methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: COC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)[C@H](C)NC(=O)c4cn5cccnc5n4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H29FN8O6/c1-16(30-22(36)20-15-34-7-3-6-28-24(34)31-20)23(37)33-10-8-32(9-11-33)21-5-4-17(12-19(21)27)35-14-18(41-26(35)39)13-29-25(38)40-2/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,29,38)(H,30,36)/t16-,18-/m0/s1
• InChIKey: SVXHDRIHWBTNRH-WMZOPIPTSA-N
• XLogP: 1.02
• TPSA: 150.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.57
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 46196410) is methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)[C@H](C)NC(=O)c4cn5cccnc5n4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is SVXHDRIHWBTNRH-WMZOPIPTSA-N. The full InChI is InChI=1S/C26H29FN8O6/c1-16(30-22(36)20-15-34-7-3-6-28-24(34)31-20)23(37)33-10-8-32(9-11-33)21-5-4-17(12-19(21)27)35-14-18(41-26(35)39)13-29-25(38)40-2/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,29,38)(H,30,36)/t16-,18-/m0/s1.

What are the key properties of methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 568.57 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[(5S)-3-[3-fluoro-4-[4-[(2S)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 46196410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).