5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one

C₂₃H₁₉F₂N₇O₂ — CID 162721921

About 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one (PubChem CID 162721921) has the molecular formula C₂₃H₁₉F₂N₇O₂ and a molecular weight of 463.45 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one.

Molecular Properties

• Compound Name: 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
• PubChem CID: 162721921
• Molecular Formula: C₂₃H₁₉F₂N₇O₂
• Molecular Weight: 463.45 g/mol
• Exact Mass: 463.16
• IUPAC Name: 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
• SMILES: O=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2C12CCCC2
• InChI: InChI=1S/C23H19F2N7O2/c24-19(25)21-30-29-20(34-21)14-3-5-15(26-10-14)11-32-12-18(28-31-32)13-4-6-17-16(9-13)23(22(33)27-17)7-1-2-8-23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,27,33)
• InChIKey: GKBNUXCCHKBWDC-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 111.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.45
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?

The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one (CID 162721921) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one.

What is the SMILES notation for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?

The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one is O=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2C12CCCC2.

What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?

The InChIKey is GKBNUXCCHKBWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O2/c24-19(25)21-30-29-20(34-21)14-3-5-15(26-10-14)11-32-12-18(28-31-32)13-4-6-17-16(9-13)23(22(33)27-17)7-1-2-8-23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,27,33).

What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one has a molecular weight of 463.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 162721921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162721921 — identifiers, structure, computed properties (public domain)

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