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

C19H13F2N7O2 — CID 162722735

IUPAC5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2N1
InChIInChI=1S/C19H13F2N7O2/c20-17(21)19-26-25-18(30-19)11-1-3-13(22-7-11)8-28-9-15(24-27-28)10-2-4-14-12(5-10)6-16(29)23-14/h1-5,7,9,17H,6,8H2,(H,23,29)
InChIKeySQRNGTCVZHMLIN-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.87
Rot. Bonds5

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

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 162722735) has the molecular formula C19H13F2N7O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID162722735
Molecular FormulaC19H13F2N7O2
Molecular Weight409.36 g/mol
Exact Mass409.11
IUPAC Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2N1
InChIInChI=1S/C19H13F2N7O2/c20-17(21)19-26-25-18(30-19)11-1-3-13(22-7-11)8-28-9-15(24-27-28)10-2-4-14-12(5-10)6-16(29)23-14/h1-5,7,9,17H,6,8H2,(H,23,29)
InChIKeySQRNGTCVZHMLIN-UHFFFAOYSA-N
XLogP2.87
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.87
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]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one (CID 162722735) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-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]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2N1.
What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is SQRNGTCVZHMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N7O2/c20-17(21)19-26-25-18(30-19)11-1-3-13(22-7-11)8-28-9-15(24-27-28)10-2-4-14-12(5-10)6-16(29)23-14/h1-5,7,9,17H,6,8H2,(H,23,29).
What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one?
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 409.36 g/mol, XLogP of 2.87, 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]-1,3-dihydroindol-2-one is sourced from PubChem (CID 162722735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).