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]-3-methylpyridine-2-carboxamide

C31H32F2N6O4 — CID 147123351

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]-3-methylpyridine-2-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(N)=O)c(C)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C31H32F2N6O4/c1-18-11-20(15-35-27(18)31(34)41)28-19(2)26(39(37-28)23-7-5-4-6-8-23)14-24(40)12-22-17-38(9-10-42-3)43-29(22)21-13-25(32)30(33)36-16-21/h4-8,11,13,15-16,22,29H,9-10,12,14,17H2,1-3H3,(H2,34,41)/t22-,29+/m1/s1
InChIKeyBOUQQQDXNFPMCP-MNNSJKJDSA-N
MW590.63 g/mol
LogP4.08
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]-3-methylpyridine-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]-3-methylpyridine-2-carboxamide (PubChem CID 147123351) has the molecular formula C31H32F2N6O4 and a molecular weight of 590.63 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]-3-methylpyridine-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]-3-methylpyridine-2-carboxamide
PubChem CID147123351
Molecular FormulaC31H32F2N6O4
Molecular Weight590.63 g/mol
Exact Mass590.25
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]-3-methylpyridine-2-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(N)=O)c(C)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C31H32F2N6O4/c1-18-11-20(15-35-27(18)31(34)41)28-19(2)26(39(37-28)23-7-5-4-6-8-23)14-24(40)12-22-17-38(9-10-42-3)43-29(22)21-13-25(32)30(33)36-16-21/h4-8,11,13,15-16,22,29H,9-10,12,14,17H2,1-3H3,(H2,34,41)/t22-,29+/m1/s1
InChIKeyBOUQQQDXNFPMCP-MNNSJKJDSA-N
XLogP4.08
TPSA125.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.63
LogP ≤ 54.08
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]-3-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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-595
CID 135230498
US10640495, Example I-453
CID 135230620
US10640495, Example I-311
CID 135230744
US10640495, Example I-231
CID 137301394
6-[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]-2-methyl-3-oxopyridazine-4-carboxamide
CID 146691075
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one
CID 146794956
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]propan-2-one
CID 146829888

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]-3-methylpyridine-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]-3-methylpyridine-2-carboxamide (CID 147123351) 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]-3-methylpyridine-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]-3-methylpyridine-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]-3-methylpyridine-2-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(N)=O)c(C)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.
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]-3-methylpyridine-2-carboxamide?
The InChIKey is BOUQQQDXNFPMCP-MNNSJKJDSA-N. The full InChI is InChI=1S/C31H32F2N6O4/c1-18-11-20(15-35-27(18)31(34)41)28-19(2)26(39(37-28)23-7-5-4-6-8-23)14-24(40)12-22-17-38(9-10-42-3)43-29(22)21-13-25(32)30(33)36-16-21/h4-8,11,13,15-16,22,29H,9-10,12,14,17H2,1-3H3,(H2,34,41)/t22-,29+/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]-3-methylpyridine-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]-3-methylpyridine-2-carboxamide has a molecular weight of 590.63 g/mol, XLogP of 4.08, 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]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 147123351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).