5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole

C22H24N6O — CID 171679738

IUPAC5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
SMILESCN1CCN(Cc2cccc(-c3noc(-c4cccc5cnn(C)c45)n3)c2)CC1
InChIInChI=1S/C22H24N6O/c1-26-9-11-28(12-10-26)15-16-5-3-6-17(13-16)21-24-22(29-25-21)19-8-4-7-18-14-23-27(2)20(18)19/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyNBUQEUYMVRVLNL-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.04
Rot. Bonds4

About 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole

5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole (PubChem CID 171679738) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
PubChem CID171679738
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
SMILESCN1CCN(Cc2cccc(-c3noc(-c4cccc5cnn(C)c45)n3)c2)CC1
InChIInChI=1S/C22H24N6O/c1-26-9-11-28(12-10-26)15-16-5-3-6-17(13-16)21-24-22(29-25-21)19-8-4-7-18-14-23-27(2)20(18)19/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyNBUQEUYMVRVLNL-UHFFFAOYSA-N
XLogP3.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(piperidin-1-ylmethyl)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 166201264
1-methyl-5-[(4-methylpiperazin-1-yl)methyl]indazole
CID 145145756
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 46099889
5-[5-[(3-methoxyphenoxy)methyl]-1-methylpyrazol-4-yl]-3-[3-(tetrazol-2-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 71666342
[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 46099855
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 75453244
5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138468
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carbaldehyde
CID 82364136
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole (CID 171679738) is 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole is CN1CCN(Cc2cccc(-c3noc(-c4cccc5cnn(C)c45)n3)c2)CC1.
What is the InChIKey of 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is NBUQEUYMVRVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26-9-11-28(12-10-26)15-16-5-3-6-17(13-16)21-24-22(29-25-21)19-8-4-7-18-14-23-27(2)20(18)19/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 388.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-7-yl)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 171679738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).