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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide

C86H98N12O12 — CID 165083827

About 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide (PubChem CID 165083827) has the molecular formula C86H98N12O12 and a molecular weight of 1491.80 g/mol. Its IUPAC name is 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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'-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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide
• PubChem CID: 165083827
• Molecular Formula: C86H98N12O12
• Molecular Weight: 1491.80 g/mol
• Exact Mass: 1490.74
• IUPAC Name: 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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]3C=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]3CO)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]3CO)C(=O)Nc3ccccc34)cc12
• InChI: InChI=1S/C29H34N4O4.C29H32N4O4.C28H32N4O4/c2*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;1-16(2)11-24(30-25(34)23-12-19-17(3)7-6-10-21(19)29-23)26(35)32-15-28(13-18(32)14-33)20-8-4-5-9-22(20)31-27(28)36/h5-11,13,17,19,24,30,34H,12,14-16H2,1-4H3,(H,31,35);5-11,13,15,17,19,24,30H,12,14,16H2,1-4H3,(H,31,35);4-10,12,16,18,24,29,33H,11,13-15H2,1-3H3,(H,30,34)(H,31,36)/t2*19-,24-,29-;18-,24-,28-/m000/s1
• InChIKey: VOFFSDSRBITUGZ-NJTLGLONSA-N
• XLogP: 9.57
• TPSA: 322.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1491.80
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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'-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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide (CID 165083827) is 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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'-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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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'-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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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]3C=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]3CO)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]3CO)C(=O)Nc3ccccc34)cc12.

What is the InChIKey of 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide?

The InChIKey is VOFFSDSRBITUGZ-NJTLGLONSA-N. The full InChI is InChI=1S/C29H34N4O4.C29H32N4O4.C28H32N4O4/c2*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;1-16(2)11-24(30-25(34)23-12-19-17(3)7-6-10-21(19)29-23)26(35)32-15-28(13-18(32)14-33)20-8-4-5-9-22(20)31-27(28)36/h5-11,13,17,19,24,30,34H,12,14-16H2,1-4H3,(H,31,35);5-11,13,15,17,19,24,30H,12,14,16H2,1-4H3,(H,31,35);4-10,12,16,18,24,29,33H,11,13-15H2,1-3H3,(H,30,34)(H,31,36)/t2*19-,24-,29-;18-,24-,28-/m000/s1.

What are the key properties of 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide has a molecular weight of 1491.80 g/mol, XLogP of 9.57, 18 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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'-(hydroxymethyl)-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'-(hydroxymethyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 165083827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).