[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone

C23H21BrFN3O2 — CID 121410138

IUPAC[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CN(C(=O)c1cc3ccc(Br)cc3[nH]1)C2
InChIInChI=1S/C23H21BrFN3O2/c24-17-4-1-16-11-20(26-19(16)12-17)22(30)28-13-23(14-28)7-9-27(10-8-23)21(29)15-2-5-18(25)6-3-15/h1-6,11-12,26H,7-10,13-14H2
InChIKeyFHLFQXGXLGDVDH-UHFFFAOYSA-N
MW470.34 g/mol
LogP4.45
Rot. Bonds2

About [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone

[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone (PubChem CID 121410138) has the molecular formula C23H21BrFN3O2 and a molecular weight of 470.34 g/mol. Its IUPAC name is [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone
PubChem CID121410138
Molecular FormulaC23H21BrFN3O2
Molecular Weight470.34 g/mol
Exact Mass469.08
IUPAC Name[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CN(C(=O)c1cc3ccc(Br)cc3[nH]1)C2
InChIInChI=1S/C23H21BrFN3O2/c24-17-4-1-16-11-20(26-19(16)12-17)22(30)28-13-23(14-28)7-9-27(10-8-23)21(29)15-2-5-18(25)6-3-15/h1-6,11-12,26H,7-10,13-14H2
InChIKeyFHLFQXGXLGDVDH-UHFFFAOYSA-N
XLogP4.45
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone (CID 121410138) is [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC2(CC1)CN(C(=O)c1cc3ccc(Br)cc3[nH]1)C2.
What is the InChIKey of [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone?
The InChIKey is FHLFQXGXLGDVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN3O2/c24-17-4-1-16-11-20(26-19(16)12-17)22(30)28-13-23(14-28)7-9-27(10-8-23)21(29)15-2-5-18(25)6-3-15/h1-6,11-12,26H,7-10,13-14H2.
What are the key properties of [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone?
[2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone has a molecular weight of 470.34 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromo-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 121410138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).