7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C23H21F2N9O2 — CID 162721915

About 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 162721915) has the molecular formula C23H21F2N9O2 and a molecular weight of 493.48 g/mol. Its IUPAC name is 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
• PubChem CID: 162721915
• Molecular Formula: C23H21F2N9O2
• Molecular Weight: 493.48 g/mol
• Exact Mass: 493.18
• IUPAC Name: 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
• SMILES: O=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2NC12CCNCC2
• InChI: InChI=1S/C23H21F2N9O2/c24-19(25)21-32-31-20(36-21)14-1-3-15(27-10-14)11-34-12-18(30-33-34)13-2-4-16-17(9-13)28-22(35)23(29-16)5-7-26-8-6-23/h1-4,9-10,12,19,26,29H,5-8,11H2,(H,28,35)
• InChIKey: XUHNXCFIWJIOMD-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 135.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.48
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?

The IUPAC name of 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 162721915) is 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

What is the SMILES notation for 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?

The canonical SMILES for 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2NC12CCNCC2.

What is the InChIKey of 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?

The InChIKey is XUHNXCFIWJIOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N9O2/c24-19(25)21-32-31-20(36-21)14-1-3-15(27-10-14)11-34-12-18(30-33-34)13-2-4-16-17(9-13)28-22(35)23(29-16)5-7-26-8-6-23/h1-4,9-10,12,19,26,29H,5-8,11H2,(H,28,35).

What are the key properties of 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?

7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 493.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 162721915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).