4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine

C22H20N6O2 — CID 46892523

IUPAC4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESc1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)c2cc[nH]c2c1
InChIInChI=1S/C22H20N6O2/c1-2-15(16-4-5-23-19(16)3-1)14-10-17(18-12-24-25-20(18)11-14)22-27-26-21(30-22)13-28-6-8-29-9-7-28/h1-5,10-12,23H,6-9,13H2,(H,24,25)
InChIKeyAQCDKWABDSQVQQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.59
Rot. Bonds4

About 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine

4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 46892523) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID46892523
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESc1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)c2cc[nH]c2c1
InChIInChI=1S/C22H20N6O2/c1-2-15(16-4-5-23-19(16)3-1)14-10-17(18-12-24-25-20(18)11-14)22-27-26-21(30-22)13-28-6-8-29-9-7-28/h1-5,10-12,23H,6-9,13H2,(H,24,25)
InChIKeyAQCDKWABDSQVQQ-UHFFFAOYSA-N
XLogP3.59
TPSA95.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 46892523) is 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine is c1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)c2cc[nH]c2c1.
What is the InChIKey of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is AQCDKWABDSQVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-2-15(16-4-5-23-19(16)3-1)14-10-17(18-12-24-25-20(18)11-14)22-27-26-21(30-22)13-28-6-8-29-9-7-28/h1-5,10-12,23H,6-9,13H2,(H,24,25).
What are the key properties of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine?
4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 400.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 46892523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).