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

C21H15F2N3OS — CID 146216704

IUPAC5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc2c(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C21H15F2N3OS/c1-25-9-15-13(3-2-4-19(15)24-25)12-7-17(22)16(18(23)8-12)10-26-11-20-14(21(26)27)5-6-28-20/h2-9H,10-11H2,1H3
InChIKeyMNCXHWYDEHKKBJ-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.74
Rot. Bonds3

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

5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (PubChem CID 146216704) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
PubChem CID146216704
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc2c(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C21H15F2N3OS/c1-25-9-15-13(3-2-4-19(15)24-25)12-7-17(22)16(18(23)8-12)10-26-11-20-14(21(26)27)5-6-28-20/h2-9H,10-11H2,1H3
InChIKeyMNCXHWYDEHKKBJ-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 146216715
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-(2-pyrrolidin-1-ylethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 146216781
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 146216713
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 146216719
5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
CID 146216726
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-(2-pyrrolidin-1-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 146216748
5-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
CID 146216751
5-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
CID 146216774
5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
CID 56848040
N-(2,6-difluorophenyl)-5-(2,5-dimethylindazol-6-yl)thiophene-2-carboxamide
CID 56848088
5-(2,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
CID 68062150
US11787780, Example 329
CID 166916228

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (CID 146216704) is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is Cn1cc2c(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1.
What is the InChIKey of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The InChIKey is MNCXHWYDEHKKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c1-25-9-15-13(3-2-4-19(15)24-25)12-7-17(22)16(18(23)8-12)10-26-11-20-14(21(26)27)5-6-28-20/h2-9H,10-11H2,1H3.
What are the key properties of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one has a molecular weight of 395.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 146216704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).