N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide

C32H36N6O4 — CID 163372920

About N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide (PubChem CID 163372920) has the molecular formula C32H36N6O4 and a molecular weight of 568.68 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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide
• PubChem CID: 163372920
• Molecular Formula: C32H36N6O4
• Molecular Weight: 568.68 g/mol
• Exact Mass: 568.28
• 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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide
• SMILES: COc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccccc23)cc2cn(C3CCC3)nc12
• InChI: InChI=1S/C32H36N6O4/c1-19(2)12-26(30(40)37-18-32(15-23(37)16-33)24-10-5-6-11-25(24)34-31(32)41)36(3)29(39)20-13-21-17-38(22-8-7-9-22)35-28(21)27(14-20)42-4/h5-6,10-11,13-14,17,19,22-23,26H,7-9,12,15,18H2,1-4H3,(H,34,41)/t23-,26-,32-/m0/s1
• InChIKey: KFEVKSCCOARDIX-SHMVISJFSA-N
• XLogP: 4.27
• TPSA: 120.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.68
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide (CID 163372920) is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-2-cyclobutyl-7-methoxy-N-methylindazole-5-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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide is COc1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C[C@]3(C[C@H]2C#N)C(=O)Nc2ccccc23)cc2cn(C3CCC3)nc12.

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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide?

The InChIKey is KFEVKSCCOARDIX-SHMVISJFSA-N. The full InChI is InChI=1S/C32H36N6O4/c1-19(2)12-26(30(40)37-18-32(15-23(37)16-33)24-10-5-6-11-25(24)34-31(32)41)36(3)29(39)20-13-21-17-38(22-8-7-9-22)35-28(21)27(14-20)42-4/h5-6,10-11,13-14,17,19,22-23,26H,7-9,12,15,18H2,1-4H3,(H,34,41)/t23-,26-,32-/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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide?

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide has a molecular weight of 568.68 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide is sourced from PubChem (CID 163372920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).