1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol

C21H24FN3OS — CID 141109436

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(CN1CCN(c2ccccn2)CC1)C(O)c1csc2ccc(F)cc12
InChIInChI=1S/C21H24FN3OS/c1-15(21(26)18-14-27-19-6-5-16(22)12-17(18)19)13-24-8-10-25(11-9-24)20-4-2-3-7-23-20/h2-7,12,14-15,21,26H,8-11,13H2,1H3
InChIKeyBUUKBQHJMKWKIU-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.93
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol

1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 141109436) has the molecular formula C21H24FN3OS and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID141109436
Molecular FormulaC21H24FN3OS
Molecular Weight385.51 g/mol
Exact Mass385.16
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(CN1CCN(c2ccccn2)CC1)C(O)c1csc2ccc(F)cc12
InChIInChI=1S/C21H24FN3OS/c1-15(21(26)18-14-27-19-6-5-16(22)12-17(18)19)13-24-8-10-25(11-9-24)20-4-2-3-7-23-20/h2-7,12,14-15,21,26H,8-11,13H2,1H3
InChIKeyBUUKBQHJMKWKIU-UHFFFAOYSA-N
XLogP3.93
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol with MolForge

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Related Compounds

1-Benzo[b]thiophen-3-yl-3-(4-quinolin-2-yl-piperazin-1-yl)-propan-1-ol
CID 10158047
1-(4-Fluoro-phenyl)-4-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butan-1-ol
CID 13914146
1-(5-Fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)propan-1-ol
CID 71449095
4-[hydroxy-(3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 45268184
Phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol
CID 24620995
4-[2-(4-Pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol
CID 15045433
[2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-(2-fluoro-pyridin-3-yl)-methanol
CID 58591576
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 69654092
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(3-fluoro-2-pyridinyl)ethanol
CID 69654162
1-[3-(7-Fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol
CID 123310443
[6-Fluoro-4-[2-(5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]-3-pyridinyl]methanol
CID 141206917
1-[6-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]-1-benzothiophen-2-yl]-3-(difluoroamino)propan-1-ol
CID 172582314

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (CID 141109436) is 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is CC(CN1CCN(c2ccccn2)CC1)C(O)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is BUUKBQHJMKWKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3OS/c1-15(21(26)18-14-27-19-6-5-16(22)12-17(18)19)13-24-8-10-25(11-9-24)20-4-2-3-7-23-20/h2-7,12,14-15,21,26H,8-11,13H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 385.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 141109436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).