3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione

C24H18Br2N2O2 — CID 175666506

IUPAC3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
SMILESO=C1CC(c2ccc(Br)cc2)C2(C(=O)Nc3ncccc32)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C24H18Br2N2O2/c25-16-7-3-14(4-8-16)20-12-18(29)13-21(15-5-9-17(26)10-6-15)24(20)19-2-1-11-27-22(19)28-23(24)30/h1-11,20-21H,12-13H2,(H,27,28,30)
InChIKeyUOKPMXARGOYWAH-UHFFFAOYSA-N
MW526.23 g/mol
LogP5.73
Rot. Bonds2

About 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione

3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione (PubChem CID 175666506) has the molecular formula C24H18Br2N2O2 and a molecular weight of 526.23 g/mol. Its IUPAC name is 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
PubChem CID175666506
Molecular FormulaC24H18Br2N2O2
Molecular Weight526.23 g/mol
Exact Mass523.97
IUPAC Name3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
SMILESO=C1CC(c2ccc(Br)cc2)C2(C(=O)Nc3ncccc32)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C24H18Br2N2O2/c25-16-7-3-14(4-8-16)20-12-18(29)13-21(15-5-9-17(26)10-6-15)24(20)19-2-1-11-27-22(19)28-23(24)30/h1-11,20-21H,12-13H2,(H,27,28,30)
InChIKeyUOKPMXARGOYWAH-UHFFFAOYSA-N
XLogP5.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.23
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione (CID 175666506) is 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione is O=C1CC(c2ccc(Br)cc2)C2(C(=O)Nc3ncccc32)C(c2ccc(Br)cc2)C1.
What is the InChIKey of 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione?
The InChIKey is UOKPMXARGOYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O2/c25-16-7-3-14(4-8-16)20-12-18(29)13-21(15-5-9-17(26)10-6-15)24(20)19-2-1-11-27-22(19)28-23(24)30/h1-11,20-21H,12-13H2,(H,27,28,30).
What are the key properties of 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione?
3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione has a molecular weight of 526.23 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5'-bis(4-bromophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 175666506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).