N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide

C25H28F2N8O5 — CID 91155133

About N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 91155133) has the molecular formula C25H28F2N8O5 and a molecular weight of 558.55 g/mol. Its IUPAC name is N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 91155133
• Molecular Formula: C25H28F2N8O5
• Molecular Weight: 558.55 g/mol
• Exact Mass: 558.22
• IUPAC Name: N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide
• SMILES: CC(=O)NCC1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)C4CN5C=CC=NC5=N4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C25H28F2N8O5/c1-15(36)29-11-17-13-35(25(39)40-17)16-9-18(26)22(19(27)10-16)33-7-5-32(6-8-33)21(37)12-30-23(38)20-14-34-4-2-3-28-24(34)31-20/h2-4,9-10,17,20H,5-8,11-14H2,1H3,(H,29,36)(H,30,38)
• InChIKey: YXNNBOHQQNPYAF-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 139.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.55
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 91155133) is N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide is CC(=O)NCC1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)C4CN5C=CC=NC5=N4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is YXNNBOHQQNPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O5/c1-15(36)29-11-17-13-35(25(39)40-17)16-9-18(26)22(19(27)10-16)33-7-5-32(6-8-33)21(37)12-30-23(38)20-14-34-4-2-3-28-24(34)31-20/h2-4,9-10,17,20H,5-8,11-14H2,1H3,(H,29,36)(H,30,38).

What are the key properties of N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide?

N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 558.55 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91155133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).