7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H17BrN2O3S — CID 3771164

IUPAC7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1
InChIInChI=1S/C24H17BrN2O3S/c1-13-4-3-5-19(26-13)27-21(14-6-9-16(31-2)10-7-14)20-22(28)17-12-15(25)8-11-18(17)30-23(20)24(27)29/h3-12,21H,1-2H3
InChIKeyODUXLVMYMWVODL-UHFFFAOYSA-N
MW493.38 g/mol
LogP5.73
Rot. Bonds3

About 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3771164) has the molecular formula C24H17BrN2O3S and a molecular weight of 493.38 g/mol. Its IUPAC name is 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3771164
Molecular FormulaC24H17BrN2O3S
Molecular Weight493.38 g/mol
Exact Mass492.01
IUPAC Name7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1
InChIInChI=1S/C24H17BrN2O3S/c1-13-4-3-5-19(26-13)27-21(14-6-9-16(31-2)10-7-14)20-22(28)17-12-15(25)8-11-18(17)30-23(20)24(27)29/h3-12,21H,1-2H3
InChIKeyODUXLVMYMWVODL-UHFFFAOYSA-N
XLogP5.73
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819701
7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3772979
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3814951
7-bromo-1-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819708
7-methyl-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819359
7-bromo-1-(4-butoxy-3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819716
ethyl 4-[7-bromo-1-(4-methylsulfanylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855286
7-bromo-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4892209
7-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810722
1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4675379
7-bromo-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902958
7-bromo-1-(4-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708772

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3771164) is 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CSc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1.
What is the InChIKey of 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ODUXLVMYMWVODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O3S/c1-13-4-3-5-19(26-13)27-21(14-6-9-16(31-2)10-7-14)20-22(28)17-12-15(25)8-11-18(17)30-23(20)24(27)29/h3-12,21H,1-2H3.
What are the key properties of 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 493.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3771164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).