5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide

C32H33F2N5O4 — CID 158063344

IUPAC5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cn1
InChIInChI=1S/C32H33F2N5O4/c1-20-29(39(24-7-5-4-6-8-24)37-30(20)22-10-12-28(36-18-22)32(41)35-2)17-25(40)15-23-19-38(13-14-42-3)43-31(23)21-9-11-26(33)27(34)16-21/h4-12,16,18,23,31H,13-15,17,19H2,1-3H3,(H,35,41)/t23-,31+/m1/s1
InChIKeyFKXPYEVBMIXEJU-IPBJYNAHSA-N
MW589.64 g/mol
LogP4.63
Rot. Bonds11

About 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide

5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 158063344) has the molecular formula C32H33F2N5O4 and a molecular weight of 589.64 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]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID158063344
Molecular FormulaC32H33F2N5O4
Molecular Weight589.64 g/mol
Exact Mass589.25
IUPAC Name5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cn1
InChIInChI=1S/C32H33F2N5O4/c1-20-29(39(24-7-5-4-6-8-24)37-30(20)22-10-12-28(36-18-22)32(41)35-2)17-25(40)15-23-19-38(13-14-42-3)43-31(23)21-9-11-26(33)27(34)16-21/h4-12,16,18,23,31H,13-15,17,19H2,1-3H3,(H,35,41)/t23-,31+/m1/s1
InChIKeyFKXPYEVBMIXEJU-IPBJYNAHSA-N
XLogP4.63
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.64
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

US10640495, Example I-458
CID 135230373
US10640495, Example I-315
CID 135230580
US10640495, Example I-62
CID 135226242
US10640495, Example I-198
CID 135226301
US10640495, Example I-612
CID 135226464
US10640495, Example I-613
CID 135230469
US10640495, Example I-595
CID 135230498
US10640495, Example I-234
CID 135230545
US10640495, Example I-312
CID 135230555
US10640495, Example I-314
CID 135230700
US10640495, Example I-195
CID 137301392
3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 24747853

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]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide (CID 158063344) is 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-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]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cn1.
What is the InChIKey of 5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FKXPYEVBMIXEJU-IPBJYNAHSA-N. The full InChI is InChI=1S/C32H33F2N5O4/c1-20-29(39(24-7-5-4-6-8-24)37-30(20)22-10-12-28(36-18-22)32(41)35-2)17-25(40)15-23-19-38(13-14-42-3)43-31(23)21-9-11-26(33)27(34)16-21/h4-12,16,18,23,31H,13-15,17,19H2,1-3H3,(H,35,41)/t23-,31+/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]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide?
5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 589.64 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 8 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]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 158063344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).