2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole

C26H27N7O — CID 66776889

IUPAC2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
SMILESCN1C[C@@]2(C)C[C@]1(C)CN2Cc1nnc(-c2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)o1
InChIInChI=1S/C26H27N7O/c1-25-13-26(2,14-32(25)3)33(15-25)12-23-30-31-24(34-23)19-9-16(10-22-20(19)11-28-29-22)17-5-4-6-21-18(17)7-8-27-21/h4-11,27H,12-15H2,1-3H3,(H,28,29)/t25-,26-/m1/s1
InChIKeyOPMKSNQGIAFHBB-CLJLJLNGSA-N
MW453.55 g/mol
LogP4.43
Rot. Bonds4

About 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole

2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole (PubChem CID 66776889) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
PubChem CID66776889
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
SMILESCN1C[C@@]2(C)C[C@]1(C)CN2Cc1nnc(-c2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)o1
InChIInChI=1S/C26H27N7O/c1-25-13-26(2,14-32(25)3)33(15-25)12-23-30-31-24(34-23)19-9-16(10-22-20(19)11-28-29-22)17-5-4-6-21-18(17)7-8-27-21/h4-11,27H,12-15H2,1-3H3,(H,28,29)/t25-,26-/m1/s1
InChIKeyOPMKSNQGIAFHBB-CLJLJLNGSA-N
XLogP4.43
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole (CID 66776889) is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole is CN1C[C@@]2(C)C[C@]1(C)CN2Cc1nnc(-c2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)o1.
What is the InChIKey of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is OPMKSNQGIAFHBB-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H27N7O/c1-25-13-26(2,14-32(25)3)33(15-25)12-23-30-31-24(34-23)19-9-16(10-22-20(19)11-28-29-22)17-5-4-6-21-18(17)7-8-27-21/h4-11,27H,12-15H2,1-3H3,(H,28,29)/t25-,26-/m1/s1.
What are the key properties of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 453.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-1,4,5-trimethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 66776889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).