3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one

C22H16Br2N2O — CID 160783495

IUPAC3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one
SMILESO=C1CC(C2=CCc3cc(Br)ccc32)CN=C1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C22H16Br2N2O/c23-14-2-5-16-12(7-14)1-4-17(16)13-8-21(27)22(26-10-13)19-11-25-20-9-15(24)3-6-18(19)20/h2-7,9,11,13,25H,1,8,10H2
InChIKeyIKYBYBRQVPGDRQ-UHFFFAOYSA-N
MW484.19 g/mol
LogP5.71
Rot. Bonds2

About 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one

3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one (PubChem CID 160783495) has the molecular formula C22H16Br2N2O and a molecular weight of 484.19 g/mol. Its IUPAC name is 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one
PubChem CID160783495
Molecular FormulaC22H16Br2N2O
Molecular Weight484.19 g/mol
Exact Mass481.96
IUPAC Name3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one
SMILESO=C1CC(C2=CCc3cc(Br)ccc32)CN=C1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C22H16Br2N2O/c23-14-2-5-16-12(7-14)1-4-17(16)13-8-21(27)22(26-10-13)19-11-25-20-9-15(24)3-6-18(19)20/h2-7,9,11,13,25H,1,8,10H2
InChIKeyIKYBYBRQVPGDRQ-UHFFFAOYSA-N
XLogP5.71
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.19
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(6-bromo-1H-indol-3-yl)-5-(1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
CID 11452527
(3R)-5-(6-bromo-1H-indol-3-yl)-3-phenyl-2,3-dihydro-1H-pyrazin-6-one
CID 177492894
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 22139468
(3S)-3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 99646312
4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 62047236
4-(6-bromo-1H-indol-3-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione
CID 161091738
2-[4-[1-(2-amino-1H-imidazol-5-yl)ethyl]-7-hydroxy-1H-indol-3-yl]-5-(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
CID 162955249
6-(6-bromo-1H-indol-3-yl)pyridin-3-amine
CID 115110543
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
5-bromo-3H-indene-1-carbaldehyde
CID 153016334
3-(1-azatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-(6-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 22556855

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one (CID 160783495) is 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one is O=C1CC(C2=CCc3cc(Br)ccc32)CN=C1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is IKYBYBRQVPGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N2O/c23-14-2-5-16-12(7-14)1-4-17(16)13-8-21(27)22(26-10-13)19-11-25-20-9-15(24)3-6-18(19)20/h2-7,9,11,13,25H,1,8,10H2.
What are the key properties of 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one?
3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 484.19 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3H-inden-1-yl)-6-(6-bromo-1H-indol-3-yl)-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 160783495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).