5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide

C29H29F3N8O4 — CID 135230395

IUPAC5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3cnc(F)c(F)c3)c2C)cc1F
InChIInChI=1S/C29H29F3N8O4/c1-16-23(17-11-20(30)24(34-13-17)28(41)33-2)38-40(19-7-5-4-6-8-19)27(16)37-29(42)36-22-15-39(9-10-43-3)44-25(22)18-12-21(31)26(32)35-14-18/h4-8,11-14,22,25H,9-10,15H2,1-3H3,(H,33,41)(H2,36,37,42)/t22-,25+/m1/s1
InChIKeyUCPSCJXYRGYMHQ-RDGATRHJSA-N
MW610.60 g/mol
LogP3.54
Rot. Bonds9

About 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide

5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 135230395) has the molecular formula C29H29F3N8O4 and a molecular weight of 610.60 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide
PubChem CID135230395
Molecular FormulaC29H29F3N8O4
Molecular Weight610.60 g/mol
Exact Mass610.23
IUPAC Name5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3cnc(F)c(F)c3)c2C)cc1F
InChIInChI=1S/C29H29F3N8O4/c1-16-23(17-11-20(30)24(34-13-17)28(41)33-2)38-40(19-7-5-4-6-8-19)27(16)37-29(42)36-22-15-39(9-10-43-3)44-25(22)18-12-21(31)26(32)35-14-18/h4-8,11-14,22,25H,9-10,15H2,1-3H3,(H,33,41)(H2,36,37,42)/t22-,25+/m1/s1
InChIKeyUCPSCJXYRGYMHQ-RDGATRHJSA-N
XLogP3.54
TPSA135.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.60
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide (CID 135230395) is 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1ncc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3cnc(F)c(F)c3)c2C)cc1F.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is UCPSCJXYRGYMHQ-RDGATRHJSA-N. The full InChI is InChI=1S/C29H29F3N8O4/c1-16-23(17-11-20(30)24(34-13-17)28(41)33-2)38-40(19-7-5-4-6-8-19)27(16)37-29(42)36-22-15-39(9-10-43-3)44-25(22)18-12-21(31)26(32)35-14-18/h4-8,11-14,22,25H,9-10,15H2,1-3H3,(H,33,41)(H2,36,37,42)/t22-,25+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 610.60 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135230395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).