(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C32H36FN5O5 — CID 164885482

IUPAC(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCN(C(=O)[C@H](Cc1ccc(F)cc1)N1CCOC1=O)[C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C32H36FN5O5/c1-31(2,3)17-26(28(40)38-19-32(16-22(38)18-34)23-7-5-6-8-24(23)35-29(32)41)36(4)27(39)25(37-13-14-43-30(37)42)15-20-9-11-21(33)12-10-20/h5-12,22,25-26H,13-17,19H2,1-4H3,(H,35,41)/t22-,25-,26-,32-/m0/s1
InChIKeyYZXPWDXIJRBEGO-LHSAMUTISA-N
MW589.67 g/mol
LogP3.47
Rot. Bonds7

About (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide

(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 164885482) has the molecular formula C32H36FN5O5 and a molecular weight of 589.67 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID164885482
Molecular FormulaC32H36FN5O5
Molecular Weight589.67 g/mol
Exact Mass589.27
IUPAC Name(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCN(C(=O)[C@H](Cc1ccc(F)cc1)N1CCOC1=O)[C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C32H36FN5O5/c1-31(2,3)17-26(28(40)38-19-32(16-22(38)18-34)23-7-5-6-8-24(23)35-29(32)41)36(4)27(39)25(37-13-14-43-30(37)42)15-20-9-11-21(33)12-10-20/h5-12,22,25-26H,13-17,19H2,1-4H3,(H,35,41)/t22-,25-,26-,32-/m0/s1
InChIKeyYZXPWDXIJRBEGO-LHSAMUTISA-N
XLogP3.47
TPSA123.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.67
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 164885482) is (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide is CN(C(=O)[C@H](Cc1ccc(F)cc1)N1CCOC1=O)[C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12.
What is the InChIKey of (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is YZXPWDXIJRBEGO-LHSAMUTISA-N. The full InChI is InChI=1S/C32H36FN5O5/c1-31(2,3)17-26(28(40)38-19-32(16-22(38)18-34)23-7-5-6-8-24(23)35-29(32)41)36(4)27(39)25(37-13-14-43-30(37)42)15-20-9-11-21(33)12-10-20/h5-12,22,25-26H,13-17,19H2,1-4H3,(H,35,41)/t22-,25-,26-,32-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 589.67 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-(4-fluorophenyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 164885482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).