5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide

C34H39FN8O6 — CID 135230533

IUPAC5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C34H39FN8O6/c1-21-29(23-17-26(33(47-3)37-19-23)32(44)38-24-10-14-48-15-11-24)41-43(25-7-5-4-6-8-25)31(21)40-34(45)39-27-20-42(13-16-46-2)49-30(27)22-9-12-36-28(35)18-22/h4-9,12,17-19,24,27,30H,10-11,13-16,20H2,1-3H3,(H,38,44)(H2,39,40,45)/t27-,30+/m1/s1
InChIKeyXHLDGYPGGRGTLS-OFSOJUDTSA-N
MW674.73 g/mol
LogP3.82
Rot. Bonds11

About 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide

5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 135230533) has the molecular formula C34H39FN8O6 and a molecular weight of 674.73 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID135230533
Molecular FormulaC34H39FN8O6
Molecular Weight674.73 g/mol
Exact Mass674.30
IUPAC Name5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C34H39FN8O6/c1-21-29(23-17-26(33(47-3)37-19-23)32(44)38-24-10-14-48-15-11-24)41-43(25-7-5-4-6-8-25)31(21)40-34(45)39-27-20-42(13-16-46-2)49-30(27)22-9-12-36-28(35)18-22/h4-9,12,17-19,24,27,30H,10-11,13-16,20H2,1-3H3,(H,38,44)(H2,39,40,45)/t27-,30+/m1/s1
InChIKeyXHLDGYPGGRGTLS-OFSOJUDTSA-N
XLogP3.82
TPSA153.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.73
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide (CID 135230533) is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(OC)c(C(=O)NC4CCOCC4)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is XHLDGYPGGRGTLS-OFSOJUDTSA-N. The full InChI is InChI=1S/C34H39FN8O6/c1-21-29(23-17-26(33(47-3)37-19-23)32(44)38-24-10-14-48-15-11-24)41-43(25-7-5-4-6-8-25)31(21)40-34(45)39-27-20-42(13-16-46-2)49-30(27)22-9-12-36-28(35)18-22/h4-9,12,17-19,24,27,30H,10-11,13-16,20H2,1-3H3,(H,38,44)(H2,39,40,45)/t27-,30+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 674.73 g/mol, XLogP of 3.82, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 135230533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).