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

C24H17FN2O3S — CID 3814951

IUPAC7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1
InChIInChI=1S/C24H17FN2O3S/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
InChIKeyBTQWTOYUFIVKND-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.11
Rot. Bonds3

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

7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3814951) has the molecular formula C24H17FN2O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3814951
Molecular FormulaC24H17FN2O3S
Molecular Weight432.48 g/mol
Exact Mass432.09
IUPAC Name7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1
InChIInChI=1S/C24H17FN2O3S/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
InChIKeyBTQWTOYUFIVKND-UHFFFAOYSA-N
XLogP5.11
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3771164
1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4675379
7-methyl-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819359
7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856295
7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819701
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820879
(1S)-7-fluoro-2-(6-methyl-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841727
7-fluoro-1-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709108
7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3772979
7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708448
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820886
1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820883

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3814951) is 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CSc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1.
What is the InChIKey of 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BTQWTOYUFIVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O3S/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-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 432.48 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3814951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).