7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C31H30F2N6O5 — CID 147597992

IUPAC7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4c(c3)OCC(=O)N4)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C31H30F2N6O5/c1-18-25(13-23(40)10-21-16-38(8-9-42-2)44-29(21)20-11-24(32)30(33)34-15-20)39(22-6-4-3-5-7-22)37-28(18)19-12-26-31(35-14-19)36-27(41)17-43-26/h3-7,11-12,14-15,21,29H,8-10,13,16-17H2,1-2H3,(H,35,36,41)/t21-,29+/m1/s1
InChIKeyFZONPGFXZFGIQB-PBBNMVCDSA-N
MW604.61 g/mol
LogP4.00
Rot. Bonds10

About 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 147597992) has the molecular formula C31H30F2N6O5 and a molecular weight of 604.61 g/mol. Its IUPAC name is 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID147597992
Molecular FormulaC31H30F2N6O5
Molecular Weight604.61 g/mol
Exact Mass604.22
IUPAC Name7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4c(c3)OCC(=O)N4)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C31H30F2N6O5/c1-18-25(13-23(40)10-21-16-38(8-9-42-2)44-29(21)20-11-24(32)30(33)34-15-20)39(22-6-4-3-5-7-22)37-28(18)19-12-26-31(35-14-19)36-27(41)17-43-26/h3-7,11-12,14-15,21,29H,8-10,13,16-17H2,1-2H3,(H,35,36,41)/t21-,29+/m1/s1
InChIKeyFZONPGFXZFGIQB-PBBNMVCDSA-N
XLogP4.00
TPSA120.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 147597992) is 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4c(c3)OCC(=O)N4)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.
What is the InChIKey of 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is FZONPGFXZFGIQB-PBBNMVCDSA-N. The full InChI is InChI=1S/C31H30F2N6O5/c1-18-25(13-23(40)10-21-16-38(8-9-42-2)44-29(21)20-11-24(32)30(33)34-15-20)39(22-6-4-3-5-7-22)37-28(18)19-12-26-31(35-14-19)36-27(41)17-43-26/h3-7,11-12,14-15,21,29H,8-10,13,16-17H2,1-2H3,(H,35,36,41)/t21-,29+/m1/s1.
What are the key properties of 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 604.61 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 147597992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).