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

C23H22N6O2 — CID 66695778

IUPAC4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
SMILESCC1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CCO1
InChIInChI=1S/C23H22N6O2/c1-14-12-29(7-8-30-14)13-22-27-28-23(31-22)18-9-15(10-21-19(18)11-25-26-21)16-3-2-4-20-17(16)5-6-24-20/h2-6,9-11,14,24H,7-8,12-13H2,1H3,(H,25,26)
InChIKeyVPKGTKNJPBONNJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.98
Rot. Bonds4

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

4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine (PubChem CID 66695778) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
PubChem CID66695778
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
SMILESCC1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CCO1
InChIInChI=1S/C23H22N6O2/c1-14-12-29(7-8-30-14)13-22-27-28-23(31-22)18-9-15(10-21-19(18)11-25-26-21)16-3-2-4-20-17(16)5-6-24-20/h2-6,9-11,14,24H,7-8,12-13H2,1H3,(H,25,26)
InChIKeyVPKGTKNJPBONNJ-UHFFFAOYSA-N
XLogP3.98
TPSA95.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 90975633
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole
CID 122212728
N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 66692266
[2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
CID 90833420
N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
CID 86662645
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58356325
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
3-(1,4-oxazepan-4-yl)prop-1-en-2-yl (4Z)-6-(1H-indol-4-yl)-1H-indazole-4-carbohydrazonate
CID 118048998
2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole
CID 118035868
6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540595
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 44540491

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]-2-methylmorpholine?
The IUPAC name of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine (CID 66695778) is 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine?
The canonical SMILES for 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine is CC1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CCO1.
What is the InChIKey of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine?
The InChIKey is VPKGTKNJPBONNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14-12-29(7-8-30-14)13-22-27-28-23(31-22)18-9-15(10-21-19(18)11-25-26-21)16-3-2-4-20-17(16)5-6-24-20/h2-6,9-11,14,24H,7-8,12-13H2,1H3,(H,25,26).
What are the key properties of 4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine?
4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine has a molecular weight of 414.47 g/mol, XLogP of 3.98, 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]-2-methylmorpholine is sourced from PubChem (CID 66695778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).