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-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C33H34F4N6O4 — CID 161171778

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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(=O)NCC(F)(F)F)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C33H34F4N6O4/c1-20-13-23(17-39-29(20)32(45)40-19-33(35,36)37)30-21(2)27(43(41-30)25-7-5-4-6-8-25)16-26(44)14-24-18-42(11-12-46-3)47-31(24)22-9-10-38-28(34)15-22/h4-10,13,15,17,24,31H,11-12,14,16,18-19H2,1-3H3,(H,40,45)/t24-,31+/m1/s1
InChIKeyURGVNFGLZXWCOR-XJFCNFDWSA-N
MW654.67 g/mol
LogP5.13
Rot. Bonds12

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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 161171778) has the molecular formula C33H34F4N6O4 and a molecular weight of 654.67 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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID161171778
Molecular FormulaC33H34F4N6O4
Molecular Weight654.67 g/mol
Exact Mass654.26
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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(=O)NCC(F)(F)F)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C33H34F4N6O4/c1-20-13-23(17-39-29(20)32(45)40-19-33(35,36)37)30-21(2)27(43(41-30)25-7-5-4-6-8-25)16-26(44)14-24-18-42(11-12-46-3)47-31(24)22-9-10-38-28(34)15-22/h4-10,13,15,17,24,31H,11-12,14,16,18-19H2,1-3H3,(H,40,45)/t24-,31+/m1/s1
InChIKeyURGVNFGLZXWCOR-XJFCNFDWSA-N
XLogP5.13
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.67
LogP ≤ 55.13
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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide with MolForge

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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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 161171778) 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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(=O)NCC(F)(F)F)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is URGVNFGLZXWCOR-XJFCNFDWSA-N. The full InChI is InChI=1S/C33H34F4N6O4/c1-20-13-23(17-39-29(20)32(45)40-19-33(35,36)37)30-21(2)27(43(41-30)25-7-5-4-6-8-25)16-26(44)14-24-18-42(11-12-46-3)47-31(24)22-9-10-38-28(34)15-22/h4-10,13,15,17,24,31H,11-12,14,16,18-19H2,1-3H3,(H,40,45)/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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 654.67 g/mol, XLogP of 5.13, 12 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]-3-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 161171778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).