6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide

C23H24BrClN4O — CID 129125171

IUPAC6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c(/C=C/c2ccc(Cl)cc2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C23H24BrClN4O/c24-17-4-7-19-21(15-17)28-20(8-3-16-1-5-18(25)6-2-16)22(19)23(30)27-11-14-29-12-9-26-10-13-29/h1-8,15,26,28H,9-14H2,(H,27,30)/b8-3+
InChIKeyYNYGASMZUSIYJS-FPYGCLRLSA-N
MW487.83 g/mol
LogP4.39
Rot. Bonds6

About 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide

6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide (PubChem CID 129125171) has the molecular formula C23H24BrClN4O and a molecular weight of 487.83 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
PubChem CID129125171
Molecular FormulaC23H24BrClN4O
Molecular Weight487.83 g/mol
Exact Mass486.08
IUPAC Name6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c(/C=C/c2ccc(Cl)cc2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C23H24BrClN4O/c24-17-4-7-19-21(15-17)28-20(8-3-16-1-5-18(25)6-2-16)22(19)23(30)27-11-14-29-12-9-26-10-13-29/h1-8,15,26,28H,9-14H2,(H,27,30)/b8-3+
InChIKeyYNYGASMZUSIYJS-FPYGCLRLSA-N
XLogP4.39
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.83
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-[4-[4-[4-[2-[[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-3a,6,7,7a-tetrahydro-1H-indole-3-carbonyl]amino]ethyl]piperazin-1-yl]-4-oxobutanoyl]piperazin-1-yl]ethyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-3-carboxamide
CID 129127207
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-3-carboxylic acid
CID 118657858
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide
CID 145305237
5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide
CID 158985602
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
2-[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]-N-[2-(1,2-dihydropyridin-6-yl)ethyl]-2-oxoacetamide
CID 129127241
1-[6-bromo-1-[[[3-[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]-3-oxopropyl]-methylamino]methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]indol-3-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 145305228
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide
CID 147610086
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide (CID 129125171) is 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide is O=C(NCCN1CCNCC1)c1c(/C=C/c2ccc(Cl)cc2)[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is YNYGASMZUSIYJS-FPYGCLRLSA-N. The full InChI is InChI=1S/C23H24BrClN4O/c24-17-4-7-19-21(15-17)28-20(8-3-16-1-5-18(25)6-2-16)22(19)23(30)27-11-14-29-12-9-26-10-13-29/h1-8,15,26,28H,9-14H2,(H,27,30)/b8-3+.
What are the key properties of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide?
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 487.83 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 129125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).