(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C24H22FN3OS — CID 3225159

IUPAC(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22FN3OS/c25-19-6-8-20(9-7-19)26-11-13-27(14-12-26)24(29)22-16-23-21(10-15-30-23)28(22)17-18-4-2-1-3-5-18/h1-10,15-16H,11-14,17H2
InChIKeyRVRSPZYAGPADJJ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.85
Rot. Bonds4

About (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3225159) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3225159
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC Name(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22FN3OS/c25-19-6-8-20(9-7-19)26-11-13-27(14-12-26)24(29)22-16-23-21(10-15-30-23)28(22)17-18-4-2-1-3-5-18/h1-10,15-16H,11-14,17H2
InChIKeyRVRSPZYAGPADJJ-UHFFFAOYSA-N
XLogP4.85
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 3225147
(4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 3225183
N-(3-chloro-2-methylphenyl)-1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 20886047
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
[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-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
CID 20877123
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
1-phenyl-2-[5-(piperidine-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]ethanone
CID 1428087
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973

Frequently Asked Questions

What is the IUPAC name of (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 3225159) is (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is RVRSPZYAGPADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c25-19-6-8-20(9-7-19)26-11-13-27(14-12-26)24(29)22-16-23-21(10-15-30-23)28(22)17-18-4-2-1-3-5-18/h1-10,15-16H,11-14,17H2.
What are the key properties of (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3225159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).