5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one

C21H17F2N7O2 — CID 162722042

IUPAC5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc21
InChIInChI=1S/C21H17F2N7O2/c1-21(2)14-7-11(4-6-15(14)25-20(21)31)16-10-30(29-26-16)9-13-5-3-12(8-24-13)18-27-28-19(32-18)17(22)23/h3-8,10,17H,9H2,1-2H3,(H,25,31)
InChIKeyNIDYCMMYBVHHAY-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.61
Rot. Bonds5

About 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 162722042) has the molecular formula C21H17F2N7O2 and a molecular weight of 437.41 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one
PubChem CID162722042
Molecular FormulaC21H17F2N7O2
Molecular Weight437.41 g/mol
Exact Mass437.14
IUPAC Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc21
InChIInChI=1S/C21H17F2N7O2/c1-21(2)14-7-11(4-6-15(14)25-20(21)31)16-10-30(29-26-16)9-13-5-3-12(8-24-13)18-27-28-19(32-18)17(22)23/h3-8,10,17H,9H2,1-2H3,(H,25,31)
InChIKeyNIDYCMMYBVHHAY-UHFFFAOYSA-N
XLogP3.61
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one (CID 162722042) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-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]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc21.
What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is NIDYCMMYBVHHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O2/c1-21(2)14-7-11(4-6-15(14)25-20(21)31)16-10-30(29-26-16)9-13-5-3-12(8-24-13)18-27-28-19(32-18)17(22)23/h3-8,10,17H,9H2,1-2H3,(H,25,31).
What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one?
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 437.41 g/mol, XLogP of 3.61, 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]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 162722042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).