6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C17H17BrN2O3 — CID 119175453

IUPAC6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cc3cc(Br)ccc3[nH]1)CC2
InChIInChI=1S/C17H17BrN2O3/c18-11-1-2-13-10(7-11)8-14(19-13)15(21)20-5-3-17(4-6-20)9-12(17)16(22)23/h1-2,7-8,12,19H,3-6,9H2,(H,22,23)
InChIKeyPJPQMYJJJYIRDU-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.26
Rot. Bonds2

About 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175453) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175453
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cc3cc(Br)ccc3[nH]1)CC2
InChIInChI=1S/C17H17BrN2O3/c18-11-1-2-13-10(7-11)8-14(19-13)15(21)20-5-3-17(4-6-20)9-12(17)16(22)23/h1-2,7-8,12,19H,3-6,9H2,(H,22,23)
InChIKeyPJPQMYJJJYIRDU-UHFFFAOYSA-N
XLogP3.26
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone
CID 70879102
6-(5-bromo-7-methyl-1-benzofuran-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120684556
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905252
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-1H-indol-2-yl)methanone
CID 56819225
[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 122435985

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175453) is 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1cc3cc(Br)ccc3[nH]1)CC2.
What is the InChIKey of 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is PJPQMYJJJYIRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-11-1-2-13-10(7-11)8-14(19-13)15(21)20-5-3-17(4-6-20)9-12(17)16(22)23/h1-2,7-8,12,19H,3-6,9H2,(H,22,23).
What are the key properties of 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 377.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).