N-ethyl-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-methoxypyridine-3-carboxamide

C31H35FN8O5 — CID 135230345

IUPACN-ethyl-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-methoxypyridine-3-carboxamide
SMILESCCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC
InChIInChI=1S/C31H35FN8O5/c1-5-33-29(41)23-15-21(17-35-30(23)44-4)26-19(2)28(40(38-26)22-9-7-6-8-10-22)37-31(42)36-24-18-39(13-14-43-3)45-27(24)20-11-12-34-25(32)16-20/h6-12,15-17,24,27H,5,13-14,18H2,1-4H3,(H,33,41)(H2,36,37,42)/t24-,27+/m1/s1
InChIKeyQRPJOGAYXROXHS-SQHAQQRYSA-N
MW618.67 g/mol
LogP3.66
Rot. Bonds11

About N-ethyl-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-methoxypyridine-3-carboxamide

N-ethyl-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-methoxypyridine-3-carboxamide (PubChem CID 135230345) has the molecular formula C31H35FN8O5 and a molecular weight of 618.67 g/mol. Its IUPAC name is N-ethyl-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-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-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-methoxypyridine-3-carboxamide
PubChem CID135230345
Molecular FormulaC31H35FN8O5
Molecular Weight618.67 g/mol
Exact Mass618.27
IUPAC NameN-ethyl-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-methoxypyridine-3-carboxamide
SMILESCCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC
InChIInChI=1S/C31H35FN8O5/c1-5-33-29(41)23-15-21(17-35-30(23)44-4)26-19(2)28(40(38-26)22-9-7-6-8-10-22)37-31(42)36-24-18-39(13-14-43-3)45-27(24)20-11-12-34-25(32)16-20/h6-12,15-17,24,27H,5,13-14,18H2,1-4H3,(H,33,41)(H2,36,37,42)/t24-,27+/m1/s1
InChIKeyQRPJOGAYXROXHS-SQHAQQRYSA-N
XLogP3.66
TPSA144.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.67
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-ethyl-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-methoxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-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-methoxypyridine-3-carboxamide?
The IUPAC name of N-ethyl-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-methoxypyridine-3-carboxamide (CID 135230345) is N-ethyl-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-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-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-methoxypyridine-3-carboxamide?
The canonical SMILES for N-ethyl-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-methoxypyridine-3-carboxamide is CCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC.
What is the InChIKey of N-ethyl-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-methoxypyridine-3-carboxamide?
The InChIKey is QRPJOGAYXROXHS-SQHAQQRYSA-N. The full InChI is InChI=1S/C31H35FN8O5/c1-5-33-29(41)23-15-21(17-35-30(23)44-4)26-19(2)28(40(38-26)22-9-7-6-8-10-22)37-31(42)36-24-18-39(13-14-43-3)45-27(24)20-11-12-34-25(32)16-20/h6-12,15-17,24,27H,5,13-14,18H2,1-4H3,(H,33,41)(H2,36,37,42)/t24-,27+/m1/s1.
What are the key properties of N-ethyl-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-methoxypyridine-3-carboxamide?
N-ethyl-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-methoxypyridine-3-carboxamide has a molecular weight of 618.67 g/mol, XLogP of 3.66, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135230345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).