5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide

C37H40F3N5O6 — CID 147071828

IUPAC5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C37H40F3N5O6/c1-22-33(19-29(46)16-25-21-44(12-15-48-2)51-35(25)23-4-9-31(39)32(40)18-23)45(28-7-5-26(38)6-8-28)43-34(22)24-17-30(37(49-3)41-20-24)36(47)42-27-10-13-50-14-11-27/h4-9,17-18,20,25,27,35H,10-16,19,21H2,1-3H3,(H,42,47)/t25-,35+/m1/s1
InChIKeyBFEWXDHCIMQKHX-FEERPNRMSA-N
MW707.75 g/mol
LogP5.33
Rot. Bonds13

About 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide

5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 147071828) has the molecular formula C37H40F3N5O6 and a molecular weight of 707.75 g/mol. Its IUPAC name is 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID147071828
Molecular FormulaC37H40F3N5O6
Molecular Weight707.75 g/mol
Exact Mass707.29
IUPAC Name5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C37H40F3N5O6/c1-22-33(19-29(46)16-25-21-44(12-15-48-2)51-35(25)23-4-9-31(39)32(40)18-23)45(28-7-5-26(38)6-8-28)43-34(22)24-17-30(37(49-3)41-20-24)36(47)42-27-10-13-50-14-11-27/h4-9,17-18,20,25,27,35H,10-16,19,21H2,1-3H3,(H,42,47)/t25-,35+/m1/s1
InChIKeyBFEWXDHCIMQKHX-FEERPNRMSA-N
XLogP5.33
TPSA117.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.75
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-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-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide (CID 147071828) is 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is BFEWXDHCIMQKHX-FEERPNRMSA-N. The full InChI is InChI=1S/C37H40F3N5O6/c1-22-33(19-29(46)16-25-21-44(12-15-48-2)51-35(25)23-4-9-31(39)32(40)18-23)45(28-7-5-26(38)6-8-28)43-34(22)24-17-30(37(49-3)41-20-24)36(47)42-27-10-13-50-14-11-27/h4-9,17-18,20,25,27,35H,10-16,19,21H2,1-3H3,(H,42,47)/t25-,35+/m1/s1.
What are the key properties of 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 707.75 g/mol, XLogP of 5.33, 13 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-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 147071828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).