[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone

C24H28F3N7O — CID 166084144

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone (PubChem CID 166084144) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone
• PubChem CID: 166084144
• Molecular Formula: C24H28F3N7O
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.23
• IUPAC Name: [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone
• SMILES: O=C(N1CC(c2ccc(NC3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
• InChI: InChI=1S/C24H28F3N7O/c25-24(26,27)23(5-6-23)30-19-4-3-16(9-28-19)17-10-32(11-17)21(35)33-12-22(13-33)7-18(8-22)34-14-29-20(31-34)15-1-2-15/h3-4,9,14-15,17-18H,1-2,5-8,10-13H2,(H,28,30)
• InChIKey: KHJBJRORSKNMBJ-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
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]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone?

The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone (CID 166084144) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone.

What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone?

The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone is O=C(N1CC(c2ccc(NC3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.

What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone?

The InChIKey is KHJBJRORSKNMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O/c25-24(26,27)23(5-6-23)30-19-4-3-16(9-28-19)17-10-32(11-17)21(35)33-12-22(13-33)7-18(8-22)34-14-29-20(31-34)15-1-2-15/h3-4,9,14-15,17-18H,1-2,5-8,10-13H2,(H,28,30).

What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone?

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone has a molecular weight of 487.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 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]-[3-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-3-pyridinyl]azetidin-1-yl]methanone is sourced from PubChem (CID 166084144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).