5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide

C33H37FN8O6 — CID 135230327

IUPAC5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)N[C@@H]4CCOC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C33H37FN8O6/c1-20-28(22-15-25(32(46-3)36-17-22)31(43)37-23-10-13-47-19-23)40-42(24-7-5-4-6-8-24)30(20)39-33(44)38-26-18-41(12-14-45-2)48-29(26)21-9-11-35-27(34)16-21/h4-9,11,15-17,23,26,29H,10,12-14,18-19H2,1-3H3,(H,37,43)(H2,38,39,44)/t23-,26-,29+/m1/s1
InChIKeyJTQWCUHTIUXSKO-FIYSCABWSA-N
MW660.71 g/mol
LogP3.43
Rot. Bonds11

About 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide

5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 135230327) has the molecular formula C33H37FN8O6 and a molecular weight of 660.71 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID135230327
Molecular FormulaC33H37FN8O6
Molecular Weight660.71 g/mol
Exact Mass660.28
IUPAC Name5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)N[C@@H]4CCOC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C33H37FN8O6/c1-20-28(22-15-25(32(46-3)36-17-22)31(43)37-23-10-13-47-19-23)40-42(24-7-5-4-6-8-24)30(20)39-33(44)38-26-18-41(12-14-45-2)48-29(26)21-9-11-35-27(34)16-21/h4-9,11,15-17,23,26,29H,10,12-14,18-19H2,1-3H3,(H,37,43)(H2,38,39,44)/t23-,26-,29+/m1/s1
InChIKeyJTQWCUHTIUXSKO-FIYSCABWSA-N
XLogP3.43
TPSA153.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.71
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (CID 135230327) is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)N[C@@H]4CCOC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is JTQWCUHTIUXSKO-FIYSCABWSA-N. The full InChI is InChI=1S/C33H37FN8O6/c1-20-28(22-15-25(32(46-3)36-17-22)31(43)37-23-10-13-47-19-23)40-42(24-7-5-4-6-8-24)30(20)39-33(44)38-26-18-41(12-14-45-2)48-29(26)21-9-11-35-27(34)16-21/h4-9,11,15-17,23,26,29H,10,12-14,18-19H2,1-3H3,(H,37,43)(H2,38,39,44)/t23-,26-,29+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 660.71 g/mol, XLogP of 3.43, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135230327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).