7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C22H27N5O3 — CID 175645098

About 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175645098) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175645098
• Molecular Formula: C22H27N5O3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.21
• IUPAC Name: 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)Cc1cc(C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)C2)nc(=O)[nH]1
• InChI: InChI=1S/C22H27N5O3/c1-15(2)11-17-12-18(25-21(30)24-17)19(28)27-10-7-22(14-27)6-9-26(20(22)29)13-16-5-3-4-8-23-16/h3-5,8,12,15H,6-7,9-11,13-14H2,1-2H3,(H,24,25,30)
• InChIKey: ICIBEJNMMVWMLX-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175645098) is 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CC(C)Cc1cc(C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)C2)nc(=O)[nH]1.

What is the InChIKey of 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is ICIBEJNMMVWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15(2)11-17-12-18(25-21(30)24-17)19(28)27-10-7-22(14-27)6-9-26(20(22)29)13-16-5-3-4-8-23-16/h3-5,8,12,15H,6-7,9-11,13-14H2,1-2H3,(H,24,25,30).

What are the key properties of 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 409.49 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175645098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).