5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one

C21H16FN3OS — CID 146216774

IUPAC5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc2cc(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1
InChIInChI=1S/C21H16FN3OS/c1-24-10-16-8-13(4-5-19(16)23-24)14-2-3-15(18(22)9-14)11-25-12-20-17(21(25)26)6-7-27-20/h2-10H,11-12H2,1H3
InChIKeyFBGAWXNGKUAJTR-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.60
Rot. Bonds3

About 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one

5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (PubChem CID 146216774) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
PubChem CID146216774
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc2cc(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1
InChIInChI=1S/C21H16FN3OS/c1-24-10-16-8-13(4-5-19(16)23-24)14-2-3-15(18(22)9-14)11-25-12-20-17(21(25)26)6-7-27-20/h2-10H,11-12H2,1H3
InChIKeyFBGAWXNGKUAJTR-UHFFFAOYSA-N
XLogP4.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (CID 146216774) is 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is Cn1cc2cc(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1.
What is the InChIKey of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The InChIKey is FBGAWXNGKUAJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-24-10-16-8-13(4-5-19(16)23-24)14-2-3-15(18(22)9-14)11-25-12-20-17(21(25)26)6-7-27-20/h2-10H,11-12H2,1H3.
What are the key properties of 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 146216774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).