6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole

C21H20Br2N4 — CID 11260315

IUPAC6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole
SMILESCN1C[C@H](c2c[nH]c3cc(Br)ccc23)NC[C@H]1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C21H20Br2N4/c1-27-11-20(16-8-24-18-6-12(22)2-4-14(16)18)26-10-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h2-9,20-21,24-26H,10-11H2,1H3/t20-,21+/m1/s1
InChIKeyXQSOLGAZPINGFW-RTWAWAEBSA-N
MW488.23 g/mol
LogP5.49
Rot. Bonds2

About 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole

6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole (PubChem CID 11260315) has the molecular formula C21H20Br2N4 and a molecular weight of 488.23 g/mol. Its IUPAC name is 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole.

Molecular Properties

Compound Name6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole
PubChem CID11260315
Molecular FormulaC21H20Br2N4
Molecular Weight488.23 g/mol
Exact Mass486.01
IUPAC Name6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole
SMILESCN1C[C@H](c2c[nH]c3cc(Br)ccc23)NC[C@H]1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C21H20Br2N4/c1-27-11-20(16-8-24-18-6-12(22)2-4-14(16)18)26-10-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h2-9,20-21,24-26H,10-11H2,1H3/t20-,21+/m1/s1
InChIKeyXQSOLGAZPINGFW-RTWAWAEBSA-N
XLogP5.49
TPSA46.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.23
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole?
The IUPAC name of 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole (CID 11260315) is 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole.
What is the SMILES notation for 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole?
The canonical SMILES for 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole is CN1C[C@H](c2c[nH]c3cc(Br)ccc23)NC[C@H]1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole?
The InChIKey is XQSOLGAZPINGFW-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H20Br2N4/c1-27-11-20(16-8-24-18-6-12(22)2-4-14(16)18)26-10-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h2-9,20-21,24-26H,10-11H2,1H3/t20-,21+/m1/s1.
What are the key properties of 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole?
6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole has a molecular weight of 488.23 g/mol, XLogP of 5.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2R,5S)-5-(6-bromo-1H-indol-3-yl)-1-methylpiperazin-2-yl]-1H-indole is sourced from PubChem (CID 11260315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).