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

C27H27F3N4O5 — CID 164983920

IUPAC1-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
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](c3ccc(C(F)(F)F)cc3)CC[C@@H]2C)C1=O
InChIInChI=1S/C27H27F3N4O5/c1-15-3-10-21(16-4-6-18(7-5-16)27(28,29)30)34(15)22(35)14-33-23(36)26(39-25(33)38)12-11-17-13-19(8-9-20(17)26)32-24(37)31-2/h4-9,13,15,21H,3,10-12,14H2,1-2H3,(H2,31,32,37)/t15-,21+,26+/m0/s1
InChIKeyYTUSCQDDPALIEU-KEBYJDCJSA-N
MW544.53 g/mol
LogP4.33
Rot. Bonds4

About 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

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 (PubChem CID 164983920) has the molecular formula C27H27F3N4O5 and a molecular weight of 544.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID164983920
Molecular FormulaC27H27F3N4O5
Molecular Weight544.53 g/mol
Exact Mass544.19
IUPAC Name1-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
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](c3ccc(C(F)(F)F)cc3)CC[C@@H]2C)C1=O
InChIInChI=1S/C27H27F3N4O5/c1-15-3-10-21(16-4-6-18(7-5-16)27(28,29)30)34(15)22(35)14-33-23(36)26(39-25(33)38)12-11-17-13-19(8-9-20(17)26)32-24(37)31-2/h4-9,13,15,21H,3,10-12,14H2,1-2H3,(H2,31,32,37)/t15-,21+,26+/m0/s1
InChIKeyYTUSCQDDPALIEU-KEBYJDCJSA-N
XLogP4.33
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-[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-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-[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
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
1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 164706833
CID 146633971
CID 146633971
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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](c3ccc(C(F)(F)F)cc3)CC[C@@H]2C)C1=O.
What is the InChIKey of 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?
The InChIKey is YTUSCQDDPALIEU-KEBYJDCJSA-N. The full InChI is InChI=1S/C27H27F3N4O5/c1-15-3-10-21(16-4-6-18(7-5-16)27(28,29)30)34(15)22(35)14-33-23(36)26(39-25(33)38)12-11-17-13-19(8-9-20(17)26)32-24(37)31-2/h4-9,13,15,21H,3,10-12,14H2,1-2H3,(H2,31,32,37)/t15-,21+,26+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 544.53 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164983920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).