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

C24H24N6O2 — CID 66776828

IUPAC(2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)C[C@H](C)O1
InChIInChI=1S/C24H24N6O2/c1-14-11-30(12-15(2)31-14)13-23-28-29-24(32-23)19-8-16(9-22-20(19)10-26-27-22)17-4-3-5-21-18(17)6-7-25-21/h3-10,14-15,25H,11-13H2,1-2H3,(H,26,27)/t14-,15+
InChIKeyXIVPHQUBCBYMGT-GASCZTMLSA-N
MW428.50 g/mol
LogP4.37
Rot. Bonds4

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

(2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 66776828) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID66776828
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)C[C@H](C)O1
InChIInChI=1S/C24H24N6O2/c1-14-11-30(12-15(2)31-14)13-23-28-29-24(32-23)19-8-16(9-22-20(19)10-26-27-22)17-4-3-5-21-18(17)6-7-25-21/h3-10,14-15,25H,11-13H2,1-2H3,(H,26,27)/t14-,15+
InChIKeyXIVPHQUBCBYMGT-GASCZTMLSA-N
XLogP4.37
TPSA95.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine (CID 66776828) is (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is XIVPHQUBCBYMGT-GASCZTMLSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-14-11-30(12-15(2)31-14)13-23-28-29-24(32-23)19-8-16(9-22-20(19)10-26-27-22)17-4-3-5-21-18(17)6-7-25-21/h3-10,14-15,25H,11-13H2,1-2H3,(H,26,27)/t14-,15+.
What are the key properties of (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 428.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 66776828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).