5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide

C32H34F2N6O4 — CID 157479683

IUPAC5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3cnc(F)c(F)c3)c2C)cc1C
InChIInChI=1S/C32H34F2N6O4/c1-19-12-21(16-36-28(19)32(42)35-3)29-20(2)27(40(38-29)24-8-6-5-7-9-24)15-25(41)13-23-18-39(10-11-43-4)44-30(23)22-14-26(33)31(34)37-17-22/h5-9,12,14,16-17,23,30H,10-11,13,15,18H2,1-4H3,(H,35,42)/t23-,30+/m1/s1
InChIKeyBWAFGETVWARLAO-DJUQAAIZSA-N
MW604.66 g/mol
LogP4.34
Rot. Bonds11

About 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide

5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 157479683) has the molecular formula C32H34F2N6O4 and a molecular weight of 604.66 g/mol. Its IUPAC name is 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID157479683
Molecular FormulaC32H34F2N6O4
Molecular Weight604.66 g/mol
Exact Mass604.26
IUPAC Name5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3cnc(F)c(F)c3)c2C)cc1C
InChIInChI=1S/C32H34F2N6O4/c1-19-12-21(16-36-28(19)32(42)35-3)29-20(2)27(40(38-29)24-8-6-5-7-9-24)15-25(41)13-23-18-39(10-11-43-4)44-30(23)22-14-26(33)31(34)37-17-22/h5-9,12,14,16-17,23,30H,10-11,13,15,18H2,1-4H3,(H,35,42)/t23-,30+/m1/s1
InChIKeyBWAFGETVWARLAO-DJUQAAIZSA-N
XLogP4.34
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.66
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

US10640495, Example I-458
CID 135230373
US10640495, Example I-62
CID 135226242
US10640495, Example I-198
CID 135226301
US10640495, Example I-233
CID 135226313
US10640495, Example I-253
CID 135230359
US10640495, Example I-252
CID 135230385
US10640495, Example I-313
CID 135230395
US10640495, Example I-166
CID 135230417
US10640495, Example I-595
CID 135230498
US10640495, Example I-256
CID 135230535
US10640495, Example I-234
CID 135230545
US10640495, Example I-167
CID 135230553

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide (CID 157479683) is 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide is CNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3cnc(F)c(F)c3)c2C)cc1C.
What is the InChIKey of 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is BWAFGETVWARLAO-DJUQAAIZSA-N. The full InChI is InChI=1S/C32H34F2N6O4/c1-19-12-21(16-36-28(19)32(42)35-3)29-20(2)27(40(38-29)24-8-6-5-7-9-24)15-25(41)13-23-18-39(10-11-43-4)44-30(23)22-14-26(33)31(34)37-17-22/h5-9,12,14,16-17,23,30H,10-11,13,15,18H2,1-4H3,(H,35,42)/t23-,30+/m1/s1.
What are the key properties of 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide?
5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 604.66 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 157479683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).