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

C35H39FN6O6 — CID 159611718

IUPAC5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)N[C@@H]4CCOC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C35H39FN6O6/c1-22-30(18-28(43)15-25-20-41(12-14-45-2)48-33(25)23-9-11-37-31(36)17-23)42(27-7-5-4-6-8-27)40-32(22)24-16-29(35(46-3)38-19-24)34(44)39-26-10-13-47-21-26/h4-9,11,16-17,19,25-26,33H,10,12-15,18,20-21H2,1-3H3,(H,39,44)/t25-,26-,33+/m1/s1
InChIKeyMMTURDGTWWGLMA-ZJDJHBDQSA-N
MW658.73 g/mol
LogP4.06
Rot. Bonds13

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

5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 159611718) has the molecular formula C35H39FN6O6 and a molecular weight of 658.73 g/mol. Its IUPAC name is 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID159611718
Molecular FormulaC35H39FN6O6
Molecular Weight658.73 g/mol
Exact Mass658.29
IUPAC Name5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)N[C@@H]4CCOC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C35H39FN6O6/c1-22-30(18-28(43)15-25-20-41(12-14-45-2)48-33(25)23-9-11-37-31(36)17-23)42(27-7-5-4-6-8-27)40-32(22)24-16-29(35(46-3)38-19-24)34(44)39-26-10-13-47-21-26/h4-9,11,16-17,19,25-26,33H,10,12-15,18,20-21H2,1-3H3,(H,39,44)/t25-,26-,33+/m1/s1
InChIKeyMMTURDGTWWGLMA-ZJDJHBDQSA-N
XLogP4.06
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-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-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (CID 159611718) is 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(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-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is MMTURDGTWWGLMA-ZJDJHBDQSA-N. The full InChI is InChI=1S/C35H39FN6O6/c1-22-30(18-28(43)15-25-20-41(12-14-45-2)48-33(25)23-9-11-37-31(36)17-23)42(27-7-5-4-6-8-27)40-32(22)24-16-29(35(46-3)38-19-24)34(44)39-26-10-13-47-21-26/h4-9,11,16-17,19,25-26,33H,10,12-15,18,20-21H2,1-3H3,(H,39,44)/t25-,26-,33+/m1/s1.
What are the key properties of 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 658.73 g/mol, XLogP of 4.06, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159611718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).