N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide

C31H34N4O4 — CID 165414339

About N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide

N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 165414339) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
• PubChem CID: 165414339
• Molecular Formula: C31H34N4O4
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.26
• IUPAC Name: N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
• SMILES: C#C[C@@H]1C[C@@]2(CN1C(=O)[C@H](CC(C)C)N(C)C(=O)c1cc3c(OC)cccc3[nH]1)C(=O)N(C)c1ccccc12
• InChI: InChI=1S/C31H34N4O4/c1-7-20-17-31(22-11-8-9-13-25(22)34(5)30(31)38)18-35(20)29(37)26(15-19(2)3)33(4)28(36)24-16-21-23(32-24)12-10-14-27(21)39-6/h1,8-14,16,19-20,26,32H,15,17-18H2,2-6H3/t20-,26+,31+/m1/s1
• InChIKey: STVKLGJUYSBDAX-JLNKLKRXSA-N
• XLogP: 3.81
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide (CID 165414339) is N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide.

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

The canonical SMILES for N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide is C#C[C@@H]1C[C@@]2(CN1C(=O)[C@H](CC(C)C)N(C)C(=O)c1cc3c(OC)cccc3[nH]1)C(=O)N(C)c1ccccc12.

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

The InChIKey is STVKLGJUYSBDAX-JLNKLKRXSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-7-20-17-31(22-11-8-9-13-25(22)34(5)30(31)38)18-35(20)29(37)26(15-19(2)3)33(4)28(36)24-16-21-23(32-24)12-10-14-27(21)39-6/h1,8-14,16,19-20,26,32H,15,17-18H2,2-6H3/t20-,26+,31+/m1/s1.

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

N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2'S,3R)-2'-ethynyl-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 165414339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).