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

C25H25N7O5 — CID 53236169

IUPACN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)c(OC)c1OC
InChIInChI=1S/C25H25N7O5/c1-34-19-9-8-17(22(35-2)23(19)36-3)24(33)27-14-20-28-25(37-30-20)21-16-6-4-5-7-18(16)32(29-21)13-12-31-11-10-26-15-31/h4-11,15H,12-14H2,1-3H3,(H,27,33)
InChIKeyZKGRFKHARJABQI-UHFFFAOYSA-N
MW503.52 g/mol
LogP2.94
Rot. Bonds10

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

N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide (PubChem CID 53236169) has the molecular formula C25H25N7O5 and a molecular weight of 503.52 g/mol. Its IUPAC name is N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide
PubChem CID53236169
Molecular FormulaC25H25N7O5
Molecular Weight503.52 g/mol
Exact Mass503.19
IUPAC NameN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)c(OC)c1OC
InChIInChI=1S/C25H25N7O5/c1-34-19-9-8-17(22(35-2)23(19)36-3)24(33)27-14-20-28-25(37-30-20)21-16-6-4-5-7-18(16)32(29-21)13-12-31-11-10-26-15-31/h4-11,15H,12-14H2,1-3H3,(H,27,33)
InChIKeyZKGRFKHARJABQI-UHFFFAOYSA-N
XLogP2.94
TPSA131.35 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide (CID 53236169) is N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc34)n2)c(OC)c1OC.
What is the InChIKey of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide?
The InChIKey is ZKGRFKHARJABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O5/c1-34-19-9-8-17(22(35-2)23(19)36-3)24(33)27-14-20-28-25(37-30-20)21-16-6-4-5-7-18(16)32(29-21)13-12-31-11-10-26-15-31/h4-11,15H,12-14H2,1-3H3,(H,27,33).
What are the key properties of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide?
N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide has a molecular weight of 503.52 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 53236169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).