5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione

C33H31FN4O7 — CID 58147974

About 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione

5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione (PubChem CID 58147974) has the molecular formula C33H31FN4O7 and a molecular weight of 614.63 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
• PubChem CID: 58147974
• Molecular Formula: C33H31FN4O7
• Molecular Weight: 614.63 g/mol
• Exact Mass: 614.22
• IUPAC Name: 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
• SMILES: O=C(CCC(=O)c1nc2c(N3CCOC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1)Cc1ccc(F)cc1
• InChI: InChI=1S/C33H31FN4O7/c34-24-8-6-22(7-9-24)18-26(39)10-11-28(40)29-30(45-21-23-4-2-1-3-5-23)32(41)38-20-25(36-12-15-43-16-13-36)19-27(31(38)35-29)37-14-17-44-33(37)42/h1-9,19-20H,10-18,21H2
• InChIKey: FYHULLISZFIMHF-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 119.75 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.63
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

The IUPAC name of 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione (CID 58147974) is 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione.

What is the SMILES notation for 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

The canonical SMILES for 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione is O=C(CCC(=O)c1nc2c(N3CCOC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1)Cc1ccc(F)cc1.

What is the InChIKey of 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

The InChIKey is FYHULLISZFIMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O7/c34-24-8-6-22(7-9-24)18-26(39)10-11-28(40)29-30(45-21-23-4-2-1-3-5-23)32(41)38-20-25(36-12-15-43-16-13-36)19-27(31(38)35-29)37-14-17-44-33(37)42/h1-9,19-20H,10-18,21H2.

What are the key properties of 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione?

5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione has a molecular weight of 614.63 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione is sourced from PubChem (CID 58147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).