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

C23H19F2N7O2 — CID 162722201

IUPAC5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2C12CCNC2
InChIInChI=1S/C23H19F2N7O2/c24-19(25)21-30-29-20(34-21)14-3-1-13(2-4-14)10-32-11-18(28-31-32)15-5-6-17-16(9-15)23(22(33)27-17)7-8-26-12-23/h1-6,9,11,19,26H,7-8,10,12H2,(H,27,33)
InChIKeyHKANNLSTABZKQL-UHFFFAOYSA-N
MW463.45 g/mol
LogP3.16
Rot. Bonds5

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

5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 162722201) has the molecular formula C23H19F2N7O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID162722201
Molecular FormulaC23H19F2N7O2
Molecular Weight463.45 g/mol
Exact Mass463.16
IUPAC Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2C12CCNC2
InChIInChI=1S/C23H19F2N7O2/c24-19(25)21-30-29-20(34-21)14-3-1-13(2-4-14)10-32-11-18(28-31-32)15-5-6-17-16(9-15)23(22(33)27-17)7-8-26-12-23/h1-6,9,11,19,26H,7-8,10,12H2,(H,27,33)
InChIKeyHKANNLSTABZKQL-UHFFFAOYSA-N
XLogP3.16
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 162722201) is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2C12CCNC2.
What is the InChIKey of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HKANNLSTABZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O2/c24-19(25)21-30-29-20(34-21)14-3-1-13(2-4-14)10-32-11-18(28-31-32)15-5-6-17-16(9-15)23(22(33)27-17)7-8-26-12-23/h1-6,9,11,19,26H,7-8,10,12H2,(H,27,33).
What are the key properties of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 463.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 162722201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).