5-[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]-2-methoxypyridine-3-carboxylic acid

C31H31F2N5O6 — CID 146760909

IUPAC5-[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]-2-methoxypyridine-3-carboxylic acid
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)O)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C31H31F2N5O6/c1-18-26(14-23(39)11-21-17-37(9-10-42-2)44-28(21)20-13-25(32)29(33)34-16-20)38(22-7-5-4-6-8-22)36-27(18)19-12-24(31(40)41)30(43-3)35-15-19/h4-8,12-13,15-16,21,28H,9-11,14,17H2,1-3H3,(H,40,41)/t21-,28+/m1/s1
InChIKeyRPKIGLXMPUWDJO-PIKZIKFNSA-N
MW607.61 g/mol
LogP4.38
Rot. Bonds12

About 5-[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]-2-methoxypyridine-3-carboxylic acid

5-[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]-2-methoxypyridine-3-carboxylic acid (PubChem CID 146760909) has the molecular formula C31H31F2N5O6 and a molecular weight of 607.61 g/mol. Its IUPAC name is 5-[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]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[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]-2-methoxypyridine-3-carboxylic acid
PubChem CID146760909
Molecular FormulaC31H31F2N5O6
Molecular Weight607.61 g/mol
Exact Mass607.22
IUPAC Name5-[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]-2-methoxypyridine-3-carboxylic acid
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)O)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C31H31F2N5O6/c1-18-26(14-23(39)11-21-17-37(9-10-42-2)44-28(21)20-13-25(32)29(33)34-16-20)38(22-7-5-4-6-8-22)36-27(18)19-12-24(31(40)41)30(43-3)35-15-19/h4-8,12-13,15-16,21,28H,9-11,14,17H2,1-3H3,(H,40,41)/t21-,28+/m1/s1
InChIKeyRPKIGLXMPUWDJO-PIKZIKFNSA-N
XLogP4.38
TPSA128.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.61
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[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]-2-methoxypyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[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]-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-[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]-2-methoxypyridine-3-carboxylic acid (CID 146760909) is 5-[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]-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[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]-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[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]-2-methoxypyridine-3-carboxylic acid is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)O)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.
What is the InChIKey of 5-[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]-2-methoxypyridine-3-carboxylic acid?
The InChIKey is RPKIGLXMPUWDJO-PIKZIKFNSA-N. The full InChI is InChI=1S/C31H31F2N5O6/c1-18-26(14-23(39)11-21-17-37(9-10-42-2)44-28(21)20-13-25(32)29(33)34-16-20)38(22-7-5-4-6-8-22)36-27(18)19-12-24(31(40)41)30(43-3)35-15-19/h4-8,12-13,15-16,21,28H,9-11,14,17H2,1-3H3,(H,40,41)/t21-,28+/m1/s1.
What are the key properties of 5-[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]-2-methoxypyridine-3-carboxylic acid?
5-[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]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 607.61 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[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]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 146760909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).