1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C26H23F5N4O5 — CID 167026289

IUPAC1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2[C@H](c3ccc(F)c(F)c3)CC[C@@H]2C(F)(F)F)C1=O
InChIInChI=1S/C26H23F5N4O5/c1-32-23(38)33-15-3-4-16-13(10-15)8-9-25(16)22(37)34(24(39)40-25)12-21(36)35-19(6-7-20(35)26(29,30)31)14-2-5-17(27)18(28)11-14/h2-5,10-11,19-20H,6-9,12H2,1H3,(H2,32,33,38)/t19-,20+,25?/m0/s1
InChIKeyUTNLYKRWRJRNJA-KYWQPSMRSA-N
MW566.48 g/mol
LogP4.13
Rot. Bonds4

About 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 167026289) has the molecular formula C26H23F5N4O5 and a molecular weight of 566.48 g/mol. Its IUPAC name is 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
PubChem CID167026289
Molecular FormulaC26H23F5N4O5
Molecular Weight566.48 g/mol
Exact Mass566.16
IUPAC Name1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2[C@H](c3ccc(F)c(F)c3)CC[C@@H]2C(F)(F)F)C1=O
InChIInChI=1S/C26H23F5N4O5/c1-32-23(38)33-15-3-4-16-13(10-15)8-9-25(16)22(37)34(24(39)40-25)12-21(36)35-19(6-7-20(35)26(29,30)31)14-2-5-17(27)18(28)11-14/h2-5,10-11,19-20H,6-9,12H2,1H3,(H2,32,33,38)/t19-,20+,25?/m0/s1
InChIKeyUTNLYKRWRJRNJA-KYWQPSMRSA-N
XLogP4.13
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea with MolForge

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Related Compounds

1-methyl-3-[(5R)-3-[2-[(2S,5R)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
CID 164983920
1-[3-[2-[(5S)-2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146633978
1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 165076184
1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 165087847
1-[3-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 167026301
tris(1-[(5R)-3-[2-[(2S,5S)-2-(3,4-difluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea);(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione;methyl N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamate
CID 165096183
1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 164993791
(2S,5S)-2-(3-chloro-4-fluorophenyl)-5-methylpyrrolidine;1-[(5R)-3-[2-[(2S,5S)-2-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid
CID 165026686
1-[(5R)-3-[2-[5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146633775
2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid
CID 118957658
1-cyclopropyl-3-[3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
CID 164706866
1-[(5R)-3-[2-[(3S)-3-cyclopropyl-7,8-difluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146205069

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The IUPAC name of 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 167026289) is 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.
What is the SMILES notation for 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The canonical SMILES for 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2[C@H](c3ccc(F)c(F)c3)CC[C@@H]2C(F)(F)F)C1=O.
What is the InChIKey of 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The InChIKey is UTNLYKRWRJRNJA-KYWQPSMRSA-N. The full InChI is InChI=1S/C26H23F5N4O5/c1-32-23(38)33-15-3-4-16-13(10-15)8-9-25(16)22(37)34(24(39)40-25)12-21(36)35-19(6-7-20(35)26(29,30)31)14-2-5-17(27)18(28)11-14/h2-5,10-11,19-20H,6-9,12H2,1H3,(H2,32,33,38)/t19-,20+,25?/m0/s1.
What are the key properties of 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 566.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(2S,5R)-2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 167026289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).