(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide

C26H34N4O4 — CID 163727095

About (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide

(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide (PubChem CID 163727095) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
• PubChem CID: 163727095
• Molecular Formula: C26H34N4O4
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.26
• IUPAC Name: (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
• SMILES: COc1ccc(C)c2[nH]c(C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12
• InChI: InChI=1S/C26H34N4O4/c1-15-6-7-22(34-5)19-12-20(30-23(15)19)21(31)11-17(13-26(2,3)4)25(33)29-18(14-27)10-16-8-9-28-24(16)32/h6-7,12,16-18,30H,8-11,13H2,1-5H3,(H,28,32)(H,29,33)/t16-,17-,18-/m0/s1
• InChIKey: KWNMLJYGANVGGN-BZSNNMDCSA-N
• XLogP: 3.64
• TPSA: 124.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The IUPAC name of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide (CID 163727095) is (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide.

What is the SMILES notation for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The canonical SMILES for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide is COc1ccc(C)c2[nH]c(C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12.

What is the InChIKey of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The InChIKey is KWNMLJYGANVGGN-BZSNNMDCSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-15-6-7-22(34-5)19-12-20(30-23(15)19)21(31)11-17(13-26(2,3)4)25(33)29-18(14-27)10-16-8-9-28-24(16)32/h6-7,12,16-18,30H,8-11,13H2,1-5H3,(H,28,32)(H,29,33)/t16-,17-,18-/m0/s1.

What are the key properties of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide has a molecular weight of 466.58 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 163727095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).