1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone

C21H25N5O — CID 155881690

IUPAC1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCn1cnnc1C1CN(C(=O)Cc2c[nH]c3ccccc23)CC12CCC2
InChIInChI=1S/C21H25N5O/c1-2-25-14-23-24-20(25)17-12-26(13-21(17)8-5-9-21)19(27)10-15-11-22-18-7-4-3-6-16(15)18/h3-4,6-7,11,14,17,22H,2,5,8-10,12-13H2,1H3
InChIKeyDQDOMTICRVLYNH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.12
Rot. Bonds4

About 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone

1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 155881690) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID155881690
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCn1cnnc1C1CN(C(=O)Cc2c[nH]c3ccccc23)CC12CCC2
InChIInChI=1S/C21H25N5O/c1-2-25-14-23-24-20(25)17-12-26(13-21(17)8-5-9-21)19(27)10-15-11-22-18-7-4-3-6-16(15)18/h3-4,6-7,11,14,17,22H,2,5,8-10,12-13H2,1H3
InChIKeyDQDOMTICRVLYNH-UHFFFAOYSA-N
XLogP3.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
CID 146068168
1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one
CID 163336247
2-(4-ethoxyphenyl)-1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 155882188
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-methoxyethanone
CID 155882181
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(3-methoxyphenyl)ethanone
CID 155882349
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 146068146
[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 155882639
4-ethyl-5-[(3S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95197415
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone (CID 155881690) is 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone is CCn1cnnc1C1CN(C(=O)Cc2c[nH]c3ccccc23)CC12CCC2.
What is the InChIKey of 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is DQDOMTICRVLYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-25-14-23-24-20(25)17-12-26(13-21(17)8-5-9-21)19(27)10-15-11-22-18-7-4-3-6-16(15)18/h3-4,6-7,11,14,17,22H,2,5,8-10,12-13H2,1H3.
What are the key properties of 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone?
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 363.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 155881690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).