N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide

C34H33N5O3 — CID 163373009

About N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide (PubChem CID 163373009) has the molecular formula C34H33N5O3 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide
• PubChem CID: 163373009
• Molecular Formula: C34H33N5O3
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.26
• IUPAC Name: N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide
• SMILES: CC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1
• InChI: InChI=1S/C34H33N5O3/c1-21(2)15-30(32(41)39-20-34(18-25(39)19-35)26-11-7-8-12-27(26)37-33(34)42)38(3)31(40)29-17-24-14-13-23(16-28(24)36-29)22-9-5-4-6-10-22/h4-14,16-17,21,25,30,36H,15,18,20H2,1-3H3,(H,37,42)/t25-,30-,34-/m0/s1
• InChIKey: UTGPIWQFPPSJCS-ZBAGWQJHSA-N
• XLogP: 5.34
• TPSA: 109.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide (CID 163373009) is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide is CC(C)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1.

What is the InChIKey of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide?

The InChIKey is UTGPIWQFPPSJCS-ZBAGWQJHSA-N. The full InChI is InChI=1S/C34H33N5O3/c1-21(2)15-30(32(41)39-20-34(18-25(39)19-35)26-11-7-8-12-27(26)37-33(34)42)38(3)31(40)29-17-24-14-13-23(16-28(24)36-29)22-9-5-4-6-10-22/h4-14,16-17,21,25,30,36H,15,18,20H2,1-3H3,(H,37,42)/t25-,30-,34-/m0/s1.

What are the key properties of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide?

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 163373009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).