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

C24H20N8O2 — CID 70944992

IUPACN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide
SMILESO=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1cccc2[nH]ccc12
InChIInChI=1S/C24H20N8O2/c33-23(17-5-3-6-19-16(17)8-9-26-19)27-14-21-28-24(34-30-21)22-18-4-1-2-7-20(18)32(29-22)13-12-31-11-10-25-15-31/h1-11,15,26H,12-14H2,(H,27,33)
InChIKeyKEHOVJXSIUCPTJ-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.39
Rot. Bonds7

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

N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide (PubChem CID 70944992) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide
PubChem CID70944992
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide
SMILESO=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1cccc2[nH]ccc12
InChIInChI=1S/C24H20N8O2/c33-23(17-5-3-6-19-16(17)8-9-26-19)27-14-21-28-24(34-30-21)22-18-4-1-2-7-20(18)32(29-22)13-12-31-11-10-25-15-31/h1-11,15,26H,12-14H2,(H,27,33)
InChIKeyKEHOVJXSIUCPTJ-UHFFFAOYSA-N
XLogP3.39
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-1H-indole-4-carboxamide?
The IUPAC name of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide (CID 70944992) is N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide is O=C(NCc1noc(-c2nn(CCn3ccnc3)c3ccccc23)n1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide?
The InChIKey is KEHOVJXSIUCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c33-23(17-5-3-6-19-16(17)8-9-26-19)27-14-21-28-24(34-30-21)22-18-4-1-2-7-20(18)32(29-22)13-12-31-11-10-25-15-31/h1-11,15,26H,12-14H2,(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]-1H-indole-4-carboxamide?
N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1H-indole-4-carboxamide is sourced from PubChem (CID 70944992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).