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-methylpyridine-3-carboxamide

C30H33FN8O5 — CID 135230364

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-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC
InChIInChI=1S/C30H33FN8O5/c1-18-25(20-14-22(28(40)32-2)29(43-4)34-16-20)37-39(21-8-6-5-7-9-21)27(18)36-30(41)35-23-17-38(12-13-42-3)44-26(23)19-10-11-33-24(31)15-19/h5-11,14-16,23,26H,12-13,17H2,1-4H3,(H,32,40)(H2,35,36,41)/t23-,26+/m1/s1
InChIKeyCAWQFVBZCYCVBC-BVAGGSTKSA-N
MW604.64 g/mol
LogP3.27
Rot. Bonds10

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-methylpyridine-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-methylpyridine-3-carboxamide (PubChem CID 135230364) has the molecular formula C30H33FN8O5 and a molecular weight of 604.64 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-methylpyridine-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-methylpyridine-3-carboxamide
PubChem CID135230364
Molecular FormulaC30H33FN8O5
Molecular Weight604.64 g/mol
Exact Mass604.26
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-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccnc(F)c3)c2C)cnc1OC
InChIInChI=1S/C30H33FN8O5/c1-18-25(20-14-22(28(40)32-2)29(43-4)34-16-20)37-39(21-8-6-5-7-9-21)27(18)36-30(41)35-23-17-38(12-13-42-3)44-26(23)19-10-11-33-24(31)15-19/h5-11,14-16,23,26H,12-13,17H2,1-4H3,(H,32,40)(H2,35,36,41)/t23-,26+/m1/s1
InChIKeyCAWQFVBZCYCVBC-BVAGGSTKSA-N
XLogP3.27
TPSA144.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.64
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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-methylpyridine-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-methylpyridine-3-carboxamide (CID 135230364) 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-methylpyridine-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-methylpyridine-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-methylpyridine-3-carboxamide is CNC(=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 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-methylpyridine-3-carboxamide?
The InChIKey is CAWQFVBZCYCVBC-BVAGGSTKSA-N. The full InChI is InChI=1S/C30H33FN8O5/c1-18-25(20-14-22(28(40)32-2)29(43-4)34-16-20)37-39(21-8-6-5-7-9-21)27(18)36-30(41)35-23-17-38(12-13-42-3)44-26(23)19-10-11-33-24(31)15-19/h5-11,14-16,23,26H,12-13,17H2,1-4H3,(H,32,40)(H2,35,36,41)/t23-,26+/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-methylpyridine-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-methylpyridine-3-carboxamide has a molecular weight of 604.64 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 10 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-methylpyridine-3-carboxamide is sourced from PubChem (CID 135230364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).