6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

C23H28N6O3 — CID 10433161

About 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 10433161) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
• PubChem CID: 10433161
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
• SMILES: CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc3cnc(C#N)nc3n1CC(C)(C)C)C2=O
• InChI: InChI=1S/C23H28N6O3/c1-15(30)27-7-5-23(6-8-27)10-19(31)28(21(23)32)13-17-9-16-12-25-18(11-24)26-20(16)29(17)14-22(2,3)4/h9,12H,5-8,10,13-14H2,1-4H3
• InChIKey: XEXSUHLSGGSZAE-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 112.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?

The IUPAC name of 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile (CID 10433161) is 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile.

What is the SMILES notation for 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?

The canonical SMILES for 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile is CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc3cnc(C#N)nc3n1CC(C)(C)C)C2=O.

What is the InChIKey of 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?

The InChIKey is XEXSUHLSGGSZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15(30)27-7-5-23(6-8-27)10-19(31)28(21(23)32)13-17-9-16-12-25-18(11-24)26-20(16)29(17)14-22(2,3)4/h9,12H,5-8,10,13-14H2,1-4H3.

What are the key properties of 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?

6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 436.52 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(8-acetyl-1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 10433161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).