1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine

C50H60N10O11 — CID 164976042

IUPAC1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine
SMILESC.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCC2c2cccnc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1cncc(C2CCCN2)c1
InChIInChI=1S/C24H25N5O5.C15H15N3O6.C9H12N2.2CH4/c1-25-22(32)27-17-6-7-18-15(12-17)8-9-24(18)21(31)29(23(33)34-24)14-20(30)28-11-3-5-19(28)16-4-2-10-26-13-16;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;1-3-8(7-10-5-1)9-4-2-6-11-9;;/h2,4,6-7,10,12-13,19H,3,5,8-9,11,14H2,1H3,(H2,25,27,32);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1,3,5,7,9,11H,2,4,6H2;2*1H4/t19?,24-;15-;;;/m11.../s1
InChIKeyDUGNGQGYIGMDIY-XYRZHKOGSA-N
MW977.09 g/mol
LogP5.74
Rot. Bonds8

About 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine

1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine (PubChem CID 164976042) 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-3-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;3-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine
PubChem CID164976042
Molecular FormulaC50H60N10O11
Molecular Weight977.09 g/mol
Exact Mass976.44
IUPAC Name1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine
SMILESC.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCC2c2cccnc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1cncc(C2CCCN2)c1
InChIInChI=1S/C24H25N5O5.C15H15N3O6.C9H12N2.2CH4/c1-25-22(32)27-17-6-7-18-15(12-17)8-9-24(18)21(31)29(23(33)34-24)14-20(30)28-11-3-5-19(28)16-4-2-10-26-13-16;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;1-3-8(7-10-5-1)9-4-2-6-11-9;;/h2,4,6-7,10,12-13,19H,3,5,8-9,11,14H2,1H3,(H2,25,27,32);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1,3,5,7,9,11H,2,4,6H2;2*1H4/t19?,24-;15-;;;/m11.../s1
InChIKeyDUGNGQGYIGMDIY-XYRZHKOGSA-N
XLogP5.74
TPSA270.90 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500977.09
LogP ≤ 55.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine?
The IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine (CID 164976042) is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine?
The canonical SMILES for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine is C.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2CCCC2c2cccnc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.c1cncc(C2CCCN2)c1.
What is the InChIKey of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine?
The InChIKey is DUGNGQGYIGMDIY-XYRZHKOGSA-N. The full InChI is InChI=1S/C24H25N5O5.C15H15N3O6.C9H12N2.2CH4/c1-25-22(32)27-17-6-7-18-15(12-17)8-9-24(18)21(31)29(23(33)34-24)14-20(30)28-11-3-5-19(28)16-4-2-10-26-13-16;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;1-3-8(7-10-5-1)9-4-2-6-11-9;;/h2,4,6-7,10,12-13,19H,3,5,8-9,11,14H2,1H3,(H2,25,27,32);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);1,3,5,7,9,11H,2,4,6H2;2*1H4/t19?,24-;15-;;;/m11.../s1.
What are the key properties of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-pyrrolidin-2-ylpyridine?
1-[(5R)-2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-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;3-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-3-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;3-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 164976042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).