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

C23H21N7O2 — CID 53239560

IUPACN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1
InChIInChI=1S/C23H21N7O2/c1-16-5-4-6-17(13-16)22(31)25-14-20-26-23(32-28-20)21-18-7-2-3-8-19(18)27-30(21)12-11-29-10-9-24-15-29/h2-10,13,15H,11-12,14H2,1H3,(H,25,31)
InChIKeyYCUWFLCAOGSVGA-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.22
Rot. Bonds7

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

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide (PubChem CID 53239560) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide
PubChem CID53239560
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1
InChIInChI=1S/C23H21N7O2/c1-16-5-4-6-17(13-16)22(31)25-14-20-26-23(32-28-20)21-18-7-2-3-8-19(18)27-30(21)12-11-29-10-9-24-15-29/h2-10,13,15H,11-12,14H2,1H3,(H,25,31)
InChIKeyYCUWFLCAOGSVGA-UHFFFAOYSA-N
XLogP3.22
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-3-methylbenzamide?
The IUPAC name of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide (CID 53239560) is N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1.
What is the InChIKey of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide?
The InChIKey is YCUWFLCAOGSVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-16-5-4-6-17(13-16)22(31)25-14-20-26-23(32-28-20)21-18-7-2-3-8-19(18)27-30(21)12-11-29-10-9-24-15-29/h2-10,13,15H,11-12,14H2,1H3,(H,25,31).
What are the key properties of N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide?
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide has a molecular weight of 427.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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]-3-methylbenzamide is sourced from PubChem (CID 53239560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).