[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C23H19FN2OS — CID 3225351

IUPAC[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19FN2OS/c1-15-12-17-4-2-3-5-19(17)26(15)23(27)21-13-22-20(10-11-28-22)25(21)14-16-6-8-18(24)9-7-16/h2-11,13,15H,12,14H2,1H3
InChIKeyVHKPCHPNMOBRDR-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.48
Rot. Bonds3

About [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3225351) has the molecular formula C23H19FN2OS and a molecular weight of 390.48 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3225351
Molecular FormulaC23H19FN2OS
Molecular Weight390.48 g/mol
Exact Mass390.12
IUPAC Name[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19FN2OS/c1-15-12-17-4-2-3-5-19(17)26(15)23(27)21-13-22-20(10-11-28-22)25(21)14-16-6-8-18(24)9-7-16/h2-11,13,15H,12,14H2,1H3
InChIKeyVHKPCHPNMOBRDR-UHFFFAOYSA-N
XLogP5.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 6487113
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7437599
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438909
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877117
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
N-(3-chloro-2-methylphenyl)-1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 20886047
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45148366
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 3225351) is [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is VHKPCHPNMOBRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2OS/c1-15-12-17-4-2-3-5-19(17)26(15)23(27)21-13-22-20(10-11-28-22)25(21)14-16-6-8-18(24)9-7-16/h2-11,13,15H,12,14H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 390.48 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3225351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).