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

C23H20F2N8O2 — CID 162722732

IUPAC5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2C12CCNCC2
InChIInChI=1S/C23H20F2N8O2/c24-19(25)21-31-30-20(35-21)14-1-3-15(27-10-14)11-33-12-18(29-32-33)13-2-4-17-16(9-13)23(22(34)28-17)5-7-26-8-6-23/h1-4,9-10,12,19,26H,5-8,11H2,(H,28,34)
InChIKeyKZZUQQMAYXHSSP-UHFFFAOYSA-N
MW478.46 g/mol
LogP2.95
Rot. Bonds5

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

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 162722732) has the molecular formula C23H20F2N8O2 and a molecular weight of 478.46 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-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID162722732
Molecular FormulaC23H20F2N8O2
Molecular Weight478.46 g/mol
Exact Mass478.17
IUPAC Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2C12CCNCC2
InChIInChI=1S/C23H20F2N8O2/c24-19(25)21-31-30-20(35-21)14-1-3-15(27-10-14)11-33-12-18(29-32-33)13-2-4-17-16(9-13)23(22(34)28-17)5-7-26-8-6-23/h1-4,9-10,12,19,26H,5-8,11H2,(H,28,34)
InChIKeyKZZUQQMAYXHSSP-UHFFFAOYSA-N
XLogP2.95
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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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-3,4'-piperidine]-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-3,4'-piperidine]-2-one (CID 162722732) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-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-3,4'-piperidine]-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-3,4'-piperidine]-2-one is O=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2C12CCNCC2.
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-3,4'-piperidine]-2-one?
The InChIKey is KZZUQQMAYXHSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N8O2/c24-19(25)21-31-30-20(35-21)14-1-3-15(27-10-14)11-33-12-18(29-32-33)13-2-4-17-16(9-13)23(22(34)28-17)5-7-26-8-6-23/h1-4,9-10,12,19,26H,5-8,11H2,(H,28,34).
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-3,4'-piperidine]-2-one?
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 478.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-3,4'-piperidine]-2-one is sourced from PubChem (CID 162722732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).