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

C27H28N6O3 — CID 165414297

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

N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 165414297) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide
• PubChem CID: 165414297
• Molecular Formula: C27H28N6O3
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.22
• IUPAC Name: N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide
• SMILES: CC(C)C[C@@H](C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1n[nH]c2ccccc12
• InChI: InChI=1S/C27H28N6O3/c1-16(2)12-22(32(3)25(35)23-18-8-4-6-10-20(18)30-31-23)24(34)33-15-27(13-17(33)14-28)19-9-5-7-11-21(19)29-26(27)36/h4-11,16-17,22H,12-13,15H2,1-3H3,(H,29,36)(H,30,31)/t17?,22-,27-/m0/s1
• InChIKey: UVCOBHJRCMDONE-DMTSYHOTSA-N
• XLogP: 3.06
• TPSA: 122.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide (CID 165414297) is N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide is CC(C)C[C@@H](C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1n[nH]c2ccccc12.

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

The InChIKey is UVCOBHJRCMDONE-DMTSYHOTSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-16(2)12-22(32(3)25(35)23-18-8-4-6-10-20(18)30-31-23)24(34)33-15-27(13-17(33)14-28)19-9-5-7-11-21(19)29-26(27)36/h4-11,16-17,22H,12-13,15H2,1-3H3,(H,29,36)(H,30,31)/t17?,22-,27-/m0/s1.

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

N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 165414297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).