2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H27N5O3 — CID 175646163

About 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175646163) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175646163
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: O=C(c1cnc2[nH]ccc2c1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
• InChI: InChI=1S/C21H27N5O3/c27-19(17-13-16-1-4-22-18(16)23-14-17)26-6-3-21(15-26)2-5-25(20(21)28)8-7-24-9-11-29-12-10-24/h1,4,13-14H,2-3,5-12,15H2,(H,22,23)
• InChIKey: YSEGRQRTSYYUSY-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 81.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175646163) is 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1cnc2[nH]ccc2c1)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1.

What is the InChIKey of 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is YSEGRQRTSYYUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-19(17-13-16-1-4-22-18(16)23-14-17)26-6-3-21(15-26)2-5-25(20(21)28)8-7-24-9-11-29-12-10-24/h1,4,13-14H,2-3,5-12,15H2,(H,22,23).

What are the key properties of 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 397.48 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175646163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).