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

C21H16FN3OS — CID 146216726

IUPAC5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc2c(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C21H16FN3OS/c1-24-11-17-15(3-2-4-19(17)23-24)13-5-6-14(18(22)9-13)10-25-12-20-16(21(25)26)7-8-27-20/h2-9,11H,10,12H2,1H3
InChIKeyKOOTVIRLVVYPOG-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.60
Rot. Bonds3

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

5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (PubChem CID 146216726) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
PubChem CID146216726
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
SMILESCn1cc2c(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C21H16FN3OS/c1-24-11-17-15(3-2-4-19(17)23-24)13-5-6-14(18(22)9-13)10-25-12-20-16(21(25)26)7-8-27-20/h2-9,11H,10,12H2,1H3
InChIKeyKOOTVIRLVVYPOG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one
CID 146216704
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-[[2,6-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
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 46947977

Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one (CID 146216726) is 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is Cn1cc2c(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1.
What is the InChIKey of 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
The InChIKey is KOOTVIRLVVYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-24-11-17-15(3-2-4-19(17)23-24)13-5-6-14(18(22)9-13)10-25-12-20-16(21(25)26)7-8-27-20/h2-9,11H,10,12H2,1H3.
What are the key properties of 5-[[2-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one?
5-[[2-fluoro-4-(2-methylindazol-4-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-4-yl)phenyl]methyl]-6H-thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 146216726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).