7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C22H23N5O2 — CID 175641736

About 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641736) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175641736
• Molecular Formula: C22H23N5O2
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.19
• IUPAC Name: 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cn1ccc2ccc(C(=O)N3CCC4(CCN(Cc5ccccn5)C4=O)C3)nc21
• InChI: InChI=1S/C22H23N5O2/c1-25-11-7-16-5-6-18(24-19(16)25)20(28)27-13-9-22(15-27)8-12-26(21(22)29)14-17-4-2-3-10-23-17/h2-7,10-11H,8-9,12-15H2,1H3
• InChIKey: GELNVYXNGDASQV-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175641736) is 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cn1ccc2ccc(C(=O)N3CCC4(CCN(Cc5ccccn5)C4=O)C3)nc21.

What is the InChIKey of 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is GELNVYXNGDASQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25-11-7-16-5-6-18(24-19(16)25)20(28)27-13-9-22(15-27)8-12-26(21(22)29)14-17-4-2-3-10-23-17/h2-7,10-11H,8-9,12-15H2,1H3.

What are the key properties of 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 389.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).