[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone

C22H33N7O3S — CID 170774023

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone (PubChem CID 170774023) has the molecular formula C22H33N7O3S and a molecular weight of 475.62 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone.

Molecular Properties

• Compound Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone
• PubChem CID: 170774023
• Molecular Formula: C22H33N7O3S
• Molecular Weight: 475.62 g/mol
• Exact Mass: 475.24
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone
• SMILES: O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)N1CCCCC1)C2
• InChI: InChI=1S/C22H33N7O3S/c30-20(25-10-21(11-25)8-18(9-21)29-16-23-19(24-29)17-4-5-17)26-12-22(13-26)14-28(15-22)33(31,32)27-6-2-1-3-7-27/h16-18H,1-15H2
• InChIKey: WQUOXQRTRLYJGO-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 94.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.62
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone?

The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone (CID 170774023) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone.

What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone?

The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone is O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)N1CCCCC1)C2.

What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone?

The InChIKey is WQUOXQRTRLYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O3S/c30-20(25-10-21(11-25)8-18(9-21)29-16-23-19(24-29)17-4-5-17)26-12-22(13-26)14-28(15-22)33(31,32)27-6-2-1-3-7-27/h16-18H,1-15H2.

What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone?

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone has a molecular weight of 475.62 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-piperidin-1-ylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone is sourced from PubChem (CID 170774023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).