1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine

C50H60N10O11 — CID 164948521

About 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine

1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine (PubChem CID 164948521) has the molecular formula C50H60N10O11 and a molecular weight of 977.09 g/mol. Its IUPAC name is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine.

Molecular Properties

• Compound Name: 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine
• PubChem CID: 164948521
• Molecular Formula: C50H60N10O11
• Molecular Weight: 977.09 g/mol
• Exact Mass: 976.44
• IUPAC Name: 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine
• SMILES: C.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCC2c2ccccn2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1ccc(C2CCCN2)nc1
• InChI: InChI=1S/C24H25N5O5.C15H15N3O6.C9H12N2.2CH4/c1-25-22(32)27-16-7-8-17-15(13-16)9-10-24(17)21(31)29(23(33)34-24)14-20(30)28-12-4-6-19(28)18-5-2-3-11-26-18;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-2-6-10-8(4-1)9-5-3-7-11-9;;/h2-3,5,7-8,11,13,19H,4,6,9-10,12,14H2,1H3,(H2,25,27,32);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1-2,4,6,9,11H,3,5,7H2;2*1H4/t19?,24-;15-;;;/m11.../s1
• InChIKey: AEZLDYREGGUNRR-XYRZHKOGSA-N
• XLogP: 5.74
• TPSA: 270.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	977.09
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine?

The IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine (CID 164948521) is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine.

What is the SMILES notation for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine?

The canonical SMILES for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine is C.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCC2c2ccccn2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1ccc(C2CCCN2)nc1.

What is the InChIKey of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine?

The InChIKey is AEZLDYREGGUNRR-XYRZHKOGSA-N. The full InChI is InChI=1S/C24H25N5O5.C15H15N3O6.C9H12N2.2CH4/c1-25-22(32)27-16-7-8-17-15(13-16)9-10-24(17)21(31)29(23(33)34-24)14-20(30)28-12-4-6-19(28)18-5-2-3-11-26-18;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-2-6-10-8(4-1)9-5-3-7-11-9;;/h2-3,5,7-8,11,13,19H,4,6,9-10,12,14H2,1H3,(H2,25,27,32);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1-2,4,6,9,11H,3,5,7H2;2*1H4/t19?,24-;15-;;;/m11.../s1.

What are the key properties of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine?

1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine has a molecular weight of 977.09 g/mol, XLogP of 5.74, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]spiro[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;2-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 164948521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).