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

C35H38F3N7O6 — CID 135230526

IUPAC5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C35H38F3N7O6/c1-20-30(22-16-26(34(49-3)39-18-22)33(46)40-24-10-13-50-14-11-24)43-45(25-7-5-23(36)6-8-25)32(20)42-35(47)41-29-19-44(12-15-48-2)51-31(29)21-4-9-27(37)28(38)17-21/h4-9,16-18,24,29,31H,10-15,19H2,1-3H3,(H,40,46)(H2,41,42,47)/t29-,31+/m1/s1
InChIKeyHVCITJDJZGRSHP-VEEOACQBSA-N
MW709.73 g/mol
LogP4.70
Rot. Bonds11

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

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 135230526) has the molecular formula C35H38F3N7O6 and a molecular weight of 709.73 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID135230526
Molecular FormulaC35H38F3N7O6
Molecular Weight709.73 g/mol
Exact Mass709.28
IUPAC Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C35H38F3N7O6/c1-20-30(22-16-26(34(49-3)39-18-22)33(46)40-24-10-13-50-14-11-24)43-45(25-7-5-23(36)6-8-25)32(20)42-35(47)41-29-19-44(12-15-48-2)51-31(29)21-4-9-27(37)28(38)17-21/h4-9,16-18,24,29,31H,10-15,19H2,1-3H3,(H,40,46)(H2,41,42,47)/t29-,31+/m1/s1
InChIKeyHVCITJDJZGRSHP-VEEOACQBSA-N
XLogP4.70
TPSA141.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.73
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-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-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide (CID 135230526) is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(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-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is HVCITJDJZGRSHP-VEEOACQBSA-N. The full InChI is InChI=1S/C35H38F3N7O6/c1-20-30(22-16-26(34(49-3)39-18-22)33(46)40-24-10-13-50-14-11-24)43-45(25-7-5-23(36)6-8-25)32(20)42-35(47)41-29-19-44(12-15-48-2)51-31(29)21-4-9-27(37)28(38)17-21/h4-9,16-18,24,29,31H,10-15,19H2,1-3H3,(H,40,46)(H2,41,42,47)/t29-,31+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 709.73 g/mol, XLogP of 4.70, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 135230526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).