N-ethyl-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]-3-methylpyridine-2-carboxamide

C33H37FN6O4 — CID 147846243

IUPACN-ethyl-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]-3-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C
InChIInChI=1S/C33H37FN6O4/c1-5-35-33(42)30-21(2)15-24(19-37-30)31-22(3)28(40(38-31)26-9-7-6-8-10-26)18-27(41)16-25-20-39(13-14-43-4)44-32(25)23-11-12-36-29(34)17-23/h6-12,15,17,19,25,32H,5,13-14,16,18,20H2,1-4H3,(H,35,42)/t25-,32+/m1/s1
InChIKeyHTYKADPATNQKJE-GOXGLGGOSA-N
MW600.70 g/mol
LogP4.59
Rot. Bonds12

About N-ethyl-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]-3-methylpyridine-2-carboxamide

N-ethyl-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]-3-methylpyridine-2-carboxamide (PubChem CID 147846243) has the molecular formula C33H37FN6O4 and a molecular weight of 600.70 g/mol. Its IUPAC name is N-ethyl-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]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-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]-3-methylpyridine-2-carboxamide
PubChem CID147846243
Molecular FormulaC33H37FN6O4
Molecular Weight600.70 g/mol
Exact Mass600.29
IUPAC NameN-ethyl-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]-3-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C
InChIInChI=1S/C33H37FN6O4/c1-5-35-33(42)30-21(2)15-24(19-37-30)31-22(3)28(40(38-31)26-9-7-6-8-10-26)18-27(41)16-25-20-39(13-14-43-4)44-32(25)23-11-12-36-29(34)17-23/h6-12,15,17,19,25,32H,5,13-14,16,18,20H2,1-4H3,(H,35,42)/t25-,32+/m1/s1
InChIKeyHTYKADPATNQKJE-GOXGLGGOSA-N
XLogP4.59
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.70
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-ethyl-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]-3-methylpyridine-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-194
CID 135226294
US10640495, Example I-198
CID 135226301
US10640495, Example I-232
CID 135226312
US10640495, Example I-233
CID 135226313
US10640495, Example I-253
CID 135230359
US10640495, Example I-452
CID 135230368
US10640495, Example I-252
CID 135230385
US10640495, Example I-257
CID 135230393
US10640495, Example I-313
CID 135230395
US10640495, Example I-166
CID 135230417

Frequently Asked Questions

What is the IUPAC name of N-ethyl-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]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-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]-3-methylpyridine-2-carboxamide (CID 147846243) is N-ethyl-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]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-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]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-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]-3-methylpyridine-2-carboxamide is CCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C.
What is the InChIKey of N-ethyl-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]-3-methylpyridine-2-carboxamide?
The InChIKey is HTYKADPATNQKJE-GOXGLGGOSA-N. The full InChI is InChI=1S/C33H37FN6O4/c1-5-35-33(42)30-21(2)15-24(19-37-30)31-22(3)28(40(38-31)26-9-7-6-8-10-26)18-27(41)16-25-20-39(13-14-43-4)44-32(25)23-11-12-36-29(34)17-23/h6-12,15,17,19,25,32H,5,13-14,16,18,20H2,1-4H3,(H,35,42)/t25-,32+/m1/s1.
What are the key properties of N-ethyl-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]-3-methylpyridine-2-carboxamide?
N-ethyl-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]-3-methylpyridine-2-carboxamide has a molecular weight of 600.70 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 147846243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).