N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide

C87H96N14O11 — CID 172984387

About N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide

N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide (PubChem CID 172984387) has the molecular formula C87H96N14O11 and a molecular weight of 1513.81 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
• PubChem CID: 172984387
• Molecular Formula: C87H96N14O11
• Molecular Weight: 1513.81 g/mol
• Exact Mass: 1512.74
• IUPAC Name: N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
• SMILES: Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3/C=N/O)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C=O)C(=O)N(C)c3ccccc34)cc12
• InChI: InChI=1S/C29H33N5O4.C29H31N5O3.C29H32N4O4/c1-17(2)12-24(32-26(35)23-13-20-18(3)8-7-10-22(20)31-23)27(36)34-16-29(14-19(34)15-30-38)21-9-5-6-11-25(21)33(4)28(29)37;1-17(2)12-24(32-26(35)23-13-20-18(3)8-7-10-22(20)31-23)27(36)34-16-29(14-19(34)15-30)21-9-5-6-11-25(21)33(4)28(29)37;1-17(2)12-24(31-26(35)23-13-20-18(3)8-7-10-22(20)30-23)27(36)33-16-29(14-19(33)15-34)21-9-5-6-11-25(21)32(4)28(29)37/h5-11,13,15,17,19,24,31,38H,12,14,16H2,1-4H3,(H,32,35);5-11,13,17,19,24,31H,12,14,16H2,1-4H3,(H,32,35);5-11,13,15,17,19,24,30H,12,14,16H2,1-4H3,(H,31,35)/b30-15+;;/t3*19-,24-,29-/m000/s1
• InChIKey: FPRHARMNTHVRAC-BRKSWWAYSA-N
• XLogP: 10.59
• TPSA: 329.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1513.81
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide (CID 172984387) is N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide is Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3/C=N/O)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)N(C)c3ccccc34)cc12.Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C=O)C(=O)N(C)c3ccccc34)cc12.

What is the InChIKey of N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide?

The InChIKey is FPRHARMNTHVRAC-BRKSWWAYSA-N. The full InChI is InChI=1S/C29H33N5O4.C29H31N5O3.C29H32N4O4/c1-17(2)12-24(32-26(35)23-13-20-18(3)8-7-10-22(20)31-23)27(36)34-16-29(14-19(34)15-30-38)21-9-5-6-11-25(21)33(4)28(29)37;1-17(2)12-24(32-26(35)23-13-20-18(3)8-7-10-22(20)31-23)27(36)34-16-29(14-19(34)15-30)21-9-5-6-11-25(21)33(4)28(29)37;1-17(2)12-24(31-26(35)23-13-20-18(3)8-7-10-22(20)30-23)27(36)33-16-29(14-19(33)15-34)21-9-5-6-11-25(21)32(4)28(29)37/h5-11,13,15,17,19,24,31,38H,12,14,16H2,1-4H3,(H,32,35);5-11,13,17,19,24,31H,12,14,16H2,1-4H3,(H,32,35);5-11,13,15,17,19,24,30H,12,14,16H2,1-4H3,(H,31,35)/b30-15+;;/t3*19-,24-,29-/m000/s1.

What are the key properties of N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide?

N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide has a molecular weight of 1513.81 g/mol, XLogP of 10.59, 17 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-formyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide;N-[(2S)-1-[(2'S,3R)-2'-[(E)-hydroxyiminomethyl]-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 172984387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).