1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one

C30H32FN5O3 — CID 146794956

IUPAC1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3ccnc(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C30H32FN5O3/c1-20-15-22(9-11-32-20)29-21(2)27(36(34-29)25-7-5-4-6-8-25)18-26(37)16-24-19-35(13-14-38-3)39-30(24)23-10-12-33-28(31)17-23/h4-12,15,17,24,30H,13-14,16,18-19H2,1-3H3/t24-,30+/m1/s1
InChIKeyRWOQGOPRMXHEDH-HLADLETHSA-N
MW529.62 g/mol
LogP4.84
Rot. Bonds10

About 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one

1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one (PubChem CID 146794956) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one
PubChem CID146794956
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3ccnc(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C30H32FN5O3/c1-20-15-22(9-11-32-20)29-21(2)27(36(34-29)25-7-5-4-6-8-25)18-26(37)16-24-19-35(13-14-38-3)39-30(24)23-10-12-33-28(31)17-23/h4-12,15,17,24,30H,13-14,16,18-19H2,1-3H3/t24-,30+/m1/s1
InChIKeyRWOQGOPRMXHEDH-HLADLETHSA-N
XLogP4.84
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one?
The IUPAC name of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one (CID 146794956) is 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one?
The canonical SMILES for 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3ccnc(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one?
The InChIKey is RWOQGOPRMXHEDH-HLADLETHSA-N. The full InChI is InChI=1S/C30H32FN5O3/c1-20-15-22(9-11-32-20)29-21(2)27(36(34-29)25-7-5-4-6-8-25)18-26(37)16-24-19-35(13-14-38-3)39-30(24)23-10-12-33-28(31)17-23/h4-12,15,17,24,30H,13-14,16,18-19H2,1-3H3/t24-,30+/m1/s1.
What are the key properties of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one?
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one has a molecular weight of 529.62 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one is sourced from PubChem (CID 146794956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).