5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

C31H34FN7O5 — CID 135226273

IUPAC5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)cc3)c2C)cn(C)c1=O
InChIInChI=1S/C31H34FN7O5/c1-19-26(21-16-24(29(40)33-2)30(41)37(3)17-21)36-39(23-8-6-5-7-9-23)28(19)35-31(42)34-25-18-38(14-15-43-4)44-27(25)20-10-12-22(32)13-11-20/h5-13,16-17,25,27H,14-15,18H2,1-4H3,(H,33,40)(H2,34,35,42)/t25-,27+/m1/s1
InChIKeyUQRZUDRLLQYKHP-VPUSJEBWSA-N
MW603.66 g/mol
LogP3.17
Rot. Bonds9

About 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 135226273) has the molecular formula C31H34FN7O5 and a molecular weight of 603.66 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID135226273
Molecular FormulaC31H34FN7O5
Molecular Weight603.66 g/mol
Exact Mass603.26
IUPAC Name5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)cc3)c2C)cn(C)c1=O
InChIInChI=1S/C31H34FN7O5/c1-19-26(21-16-24(29(40)33-2)30(41)37(3)17-21)36-39(23-8-6-5-7-9-23)28(19)35-31(42)34-25-18-38(14-15-43-4)44-27(25)20-10-12-22(32)13-11-20/h5-13,16-17,25,27H,14-15,18H2,1-4H3,(H,33,40)(H2,34,35,42)/t25-,27+/m1/s1
InChIKeyUQRZUDRLLQYKHP-VPUSJEBWSA-N
XLogP3.17
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.66
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 135226273) is 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)cc3)c2C)cn(C)c1=O.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is UQRZUDRLLQYKHP-VPUSJEBWSA-N. The full InChI is InChI=1S/C31H34FN7O5/c1-19-26(21-16-24(29(40)33-2)30(41)37(3)17-21)36-39(23-8-6-5-7-9-23)28(19)35-31(42)34-25-18-38(14-15-43-4)44-27(25)20-10-12-22(32)13-11-20/h5-13,16-17,25,27H,14-15,18H2,1-4H3,(H,33,40)(H2,34,35,42)/t25-,27+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 603.66 g/mol, XLogP of 3.17, 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-(4-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 135226273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).