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]-N,3-dimethylpyridine-2-carboxamide

C32H35FN6O4 — CID 148970476

IUPAC5-[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]-N,3-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C
InChIInChI=1S/C32H35FN6O4/c1-20-14-23(18-36-29(20)32(41)34-3)30-21(2)27(39(37-30)25-8-6-5-7-9-25)17-26(40)15-24-19-38(12-13-42-4)43-31(24)22-10-11-35-28(33)16-22/h5-11,14,16,18,24,31H,12-13,15,17,19H2,1-4H3,(H,34,41)/t24-,31+/m1/s1
InChIKeyPTTMXBILIGDLMK-XJFCNFDWSA-N
MW586.67 g/mol
LogP4.20
Rot. Bonds11

About 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]-N,3-dimethylpyridine-2-carboxamide

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]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 148970476) has the molecular formula C32H35FN6O4 and a molecular weight of 586.67 g/mol. Its IUPAC name is 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]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[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]-N,3-dimethylpyridine-2-carboxamide
PubChem CID148970476
Molecular FormulaC32H35FN6O4
Molecular Weight586.67 g/mol
Exact Mass586.27
IUPAC Name5-[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]-N,3-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cc1C
InChIInChI=1S/C32H35FN6O4/c1-20-14-23(18-36-29(20)32(41)34-3)30-21(2)27(39(37-30)25-8-6-5-7-9-25)17-26(40)15-24-19-38(12-13-42-4)43-31(24)22-10-11-35-28(33)16-22/h5-11,14,16,18,24,31H,12-13,15,17,19H2,1-4H3,(H,34,41)/t24-,31+/m1/s1
InChIKeyPTTMXBILIGDLMK-XJFCNFDWSA-N
XLogP4.20
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.67
LogP ≤ 54.20
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-(2-fluoro-4-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-232
CID 135226312
US10640495, Example I-233
CID 135226313
US10640495, Example I-253
CID 135230359
US10640495, Example I-452
CID 135230368
US10640495, Example I-257
CID 135230393
US10640495, Example I-166
CID 135230417
US10640495, Example I-595
CID 135230498
US10640495, Example I-169
CID 135230532
US10640495, Example I-256
CID 135230535

Frequently Asked Questions

What is the IUPAC name of 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]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of 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]-N,3-dimethylpyridine-2-carboxamide (CID 148970476) is 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]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 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]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for 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]-N,3-dimethylpyridine-2-carboxamide is CNC(=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 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]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is PTTMXBILIGDLMK-XJFCNFDWSA-N. The full InChI is InChI=1S/C32H35FN6O4/c1-20-14-23(18-36-29(20)32(41)34-3)30-21(2)27(39(37-30)25-8-6-5-7-9-25)17-26(40)15-24-19-38(12-13-42-4)43-31(24)22-10-11-35-28(33)16-22/h5-11,14,16,18,24,31H,12-13,15,17,19H2,1-4H3,(H,34,41)/t24-,31+/m1/s1.
What are the key properties of 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]-N,3-dimethylpyridine-2-carboxamide?
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]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 586.67 g/mol, XLogP of 4.20, 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-(2-fluoro-4-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 148970476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).