N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide

C30H34N6O4 — CID 24987067

About N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide

N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide (PubChem CID 24987067) has the molecular formula C30H34N6O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide.

Molecular Properties

• Compound Name: N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide
• PubChem CID: 24987067
• Molecular Formula: C30H34N6O4
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.26
• IUPAC Name: N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide
• SMILES: CN1C(=O)NC(=O)C12CCc1cc(C(=O)N[C@@H]3Cc4ccc5[nH]ncc5c4CN(CC(C)(C)C)C3=O)ccc1C2
• InChI: InChI=1S/C30H34N6O4/c1-29(2,3)16-36-15-22-18(7-8-23-21(22)14-31-34-23)12-24(26(36)38)32-25(37)19-5-6-20-13-30(10-9-17(20)11-19)27(39)33-28(40)35(30)4/h5-8,11,14,24H,9-10,12-13,15-16H2,1-4H3,(H,31,34)(H,32,37)(H,33,39,40)/t24-,30?/m1/s1
• InChIKey: ZVNNFKXHEHPOKE-DDAUYOFQSA-N
• XLogP: 2.70
• TPSA: 127.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide?

The IUPAC name of N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide (CID 24987067) is N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide.

What is the SMILES notation for N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide?

The canonical SMILES for N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide is CN1C(=O)NC(=O)C12CCc1cc(C(=O)N[C@@H]3Cc4ccc5[nH]ncc5c4CN(CC(C)(C)C)C3=O)ccc1C2.

What is the InChIKey of N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide?

The InChIKey is ZVNNFKXHEHPOKE-DDAUYOFQSA-N. The full InChI is InChI=1S/C30H34N6O4/c1-29(2,3)16-36-15-22-18(7-8-23-21(22)14-31-34-23)12-24(26(36)38)32-25(37)19-5-6-20-13-30(10-9-17(20)11-19)27(39)33-28(40)35(30)4/h5-8,11,14,24H,9-10,12-13,15-16H2,1-4H3,(H,31,34)(H,32,37)(H,33,39,40)/t24-,30?/m1/s1.

What are the key properties of N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide?

N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide is sourced from PubChem (CID 24987067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).