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

C24H23N7O — CID 66776909

IUPAC2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
SMILESCN1C[C@H]2C[C@@H]1CN2Cc1nnc(-c2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)o1
InChIInChI=1S/C24H23N7O/c1-30-11-16-9-15(30)12-31(16)13-23-28-29-24(32-23)19-7-14(8-22-20(19)10-26-27-22)17-3-2-4-21-18(17)5-6-25-21/h2-8,10,15-16,25H,9,11-13H2,1H3,(H,26,27)/t15-,16-/m1/s1
InChIKeyKNNPPPQPVUKVNO-HZPDHXFCSA-N
MW425.50 g/mol
LogP3.65
Rot. Bonds4

About 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole (PubChem CID 66776909) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
PubChem CID66776909
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
SMILESCN1C[C@H]2C[C@@H]1CN2Cc1nnc(-c2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)o1
InChIInChI=1S/C24H23N7O/c1-30-11-16-9-15(30)12-31(16)13-23-28-29-24(32-23)19-7-14(8-22-20(19)10-26-27-22)17-3-2-4-21-18(17)5-6-25-21/h2-8,10,15-16,25H,9,11-13H2,1H3,(H,26,27)/t15-,16-/m1/s1
InChIKeyKNNPPPQPVUKVNO-HZPDHXFCSA-N
XLogP3.65
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-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)-5-methyl-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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole (CID 66776909) is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-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)-5-methyl-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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole is CN1C[C@H]2C[C@@H]1CN2Cc1nnc(-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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is KNNPPPQPVUKVNO-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H23N7O/c1-30-11-16-9-15(30)12-31(16)13-23-28-29-24(32-23)19-7-14(8-22-20(19)10-26-27-22)17-3-2-4-21-18(17)5-6-25-21/h2-8,10,15-16,25H,9,11-13H2,1H3,(H,26,27)/t15-,16-/m1/s1.
What are the key properties of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[[(1R,4R)-5-methyl-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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 425.50 g/mol, XLogP of 3.65, 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)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 66776909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).