2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C26H28N4O2 — CID 175643597

About 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643597) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175643597
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
• InChI: InChI=1S/C26H28N4O2/c31-24(18-8-9-23-21(15-18)20-6-1-2-7-22(20)28-23)30-14-11-26(17-30)10-13-29(25(26)32)16-19-5-3-4-12-27-19/h3-5,8-9,12,15,28H,1-2,6-7,10-11,13-14,16-17H2
• InChIKey: BAJKADKEOOSIRN-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175643597) is 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC2(CCN(Cc3ccccn3)C2=O)C1.

What is the InChIKey of 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is BAJKADKEOOSIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-24(18-8-9-23-21(15-18)20-6-1-2-7-22(20)28-23)30-14-11-26(17-30)10-13-29(25(26)32)16-19-5-3-4-12-27-19/h3-5,8-9,12,15,28H,1-2,6-7,10-11,13-14,16-17H2.

What are the key properties of 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 428.54 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(pyridin-2-ylmethyl)-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).