9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C24H29N5OS — CID 131669867

About 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131669867) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131669867
• Molecular Formula: C24H29N5OS
• Molecular Weight: 435.60 g/mol
• Exact Mass: 435.21
• IUPAC Name: 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)n1cnc(C2CN(Cc3cccs3)CC23CCN(Cc2ccncc2)C3=O)c1
• InChI: InChI=1S/C24H29N5OS/c1-18(2)29-15-22(26-17-29)21-14-27(13-20-4-3-11-31-20)16-24(21)7-10-28(23(24)30)12-19-5-8-25-9-6-19/h3-6,8-9,11,15,17-18,21H,7,10,12-14,16H2,1-2H3
• InChIKey: AFNOWIHCNVJUDF-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.60
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131669867) is 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CC(C)n1cnc(C2CN(Cc3cccs3)CC23CCN(Cc2ccncc2)C3=O)c1.

What is the InChIKey of 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is AFNOWIHCNVJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-18(2)29-15-22(26-17-29)21-14-27(13-20-4-3-11-31-20)16-24(21)7-10-28(23(24)30)12-19-5-8-25-9-6-19/h3-6,8-9,11,15,17-18,21H,7,10,12-14,16H2,1-2H3.

What are the key properties of 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 435.60 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131669867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).