2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one

C23H26N4O2 — CID 56969784

About 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one

2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 56969784) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
• PubChem CID: 56969784
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
• SMILES: O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cccc(=O)[nH]1)CC2
• InChI: InChI=1S/C23H26N4O2/c28-21-8-3-7-20(25-21)26-13-10-23(11-14-26)9-4-12-27(22(23)29)16-17-15-24-19-6-2-1-5-18(17)19/h1-3,5-8,15,24H,4,9-14,16H2,(H,25,28)
• InChIKey: CDTOQLIUZSUIHS-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 72.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 56969784) is 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cccc(=O)[nH]1)CC2.

What is the InChIKey of 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The InChIKey is CDTOQLIUZSUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-21-8-3-7-20(25-21)26-13-10-23(11-14-26)9-4-12-27(22(23)29)16-17-15-24-19-6-2-1-5-18(17)19/h1-3,5-8,15,24H,4,9-14,16H2,(H,25,28).

What are the key properties of 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one?

2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indol-3-ylmethyl)-9-(6-oxo-1H-pyridin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 56969784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).