N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide

C24H23N7O4 — CID 70944974

IUPACN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1OC
InChIInChI=1S/C24H23N7O4/c1-33-19-9-5-7-17(22(19)34-2)23(32)26-14-20-27-24(35-29-20)21-16-6-3-4-8-18(16)28-31(21)13-12-30-11-10-25-15-30/h3-11,15H,12-14H2,1-2H3,(H,26,32)
InChIKeyLQENUNYPYXJYHJ-UHFFFAOYSA-N
MW473.49 g/mol
LogP2.93
Rot. Bonds9

About N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 70944974) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID70944974
Molecular FormulaC24H23N7O4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1OC
InChIInChI=1S/C24H23N7O4/c1-33-19-9-5-7-17(22(19)34-2)23(32)26-14-20-27-24(35-29-20)21-16-6-3-4-8-18(16)28-31(21)13-12-30-11-10-25-15-30/h3-11,15H,12-14H2,1-2H3,(H,26,32)
InChIKeyLQENUNYPYXJYHJ-UHFFFAOYSA-N
XLogP2.93
TPSA122.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide (CID 70944974) is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1OC.
What is the InChIKey of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is LQENUNYPYXJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-33-19-9-5-7-17(22(19)34-2)23(32)26-14-20-27-24(35-29-20)21-16-6-3-4-8-18(16)28-31(21)13-12-30-11-10-25-15-30/h3-11,15H,12-14H2,1-2H3,(H,26,32).
What are the key properties of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide?
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 473.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 70944974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).