7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C23H31N5O2S — CID 131669855

About 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131669855) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131669855
• Molecular Formula: C23H31N5O2S
• Molecular Weight: 441.60 g/mol
• Exact Mass: 441.22
• IUPAC Name: 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1nc(CN2CCC3(CN(C(=O)CC4CC4)CC3c3cn(C(C)C)cn3)C2=O)cs1
• InChI: InChI=1S/C23H31N5O2S/c1-15(2)28-11-20(24-14-28)19-10-27(21(29)8-17-4-5-17)13-23(19)6-7-26(22(23)30)9-18-12-31-16(3)25-18/h11-12,14-15,17,19H,4-10,13H2,1-3H3
• InChIKey: BPMHBERLCICYIO-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.60
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131669855) is 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1nc(CN2CCC3(CN(C(=O)CC4CC4)CC3c3cn(C(C)C)cn3)C2=O)cs1.

What is the InChIKey of 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is BPMHBERLCICYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-15(2)28-11-20(24-14-28)19-10-27(21(29)8-17-4-5-17)13-23(19)6-7-26(22(23)30)9-18-12-31-16(3)25-18/h11-12,14-15,17,19H,4-10,13H2,1-3H3.

What are the key properties of 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?

7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 441.60 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).