2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C22H27N5O2 — CID 91911322

IUPAC2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCc1noc(C2CC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)CN2C)n1
InChIInChI=1S/C22H27N5O2/c1-15-24-21(29-25-15)19-12-22(14-26(19)2)7-9-27(10-8-22)20(28)11-16-13-23-18-6-4-3-5-17(16)18/h3-6,13,19,23H,7-12,14H2,1-2H3
InChIKeyGKNAZSYQSXLOKW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.09
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 91911322) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID91911322
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCc1noc(C2CC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)CN2C)n1
InChIInChI=1S/C22H27N5O2/c1-15-24-21(29-25-15)19-12-22(14-26(19)2)7-9-27(10-8-22)20(28)11-16-13-23-18-6-4-3-5-17(16)18/h3-6,13,19,23H,7-12,14H2,1-2H3
InChIKeyGKNAZSYQSXLOKW-UHFFFAOYSA-N
XLogP3.09
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone with MolForge

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Related Compounds

3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 164631537
3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 91911324
2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone
CID 146069181
N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072434
2-(1H-indol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 122142015
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032106
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 91911322) is 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is Cc1noc(C2CC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)CN2C)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is GKNAZSYQSXLOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-24-21(29-25-15)19-12-22(14-26(19)2)7-9-27(10-8-22)20(28)11-16-13-23-18-6-4-3-5-17(16)18/h3-6,13,19,23H,7-12,14H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 91911322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).