6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid

C24H23N3O3S — CID 118760340

IUPAC6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3c2sc2ccccc23)nc1N1CCN(CCO)CC1
InChIInChI=1S/C24H23N3O3S/c28-15-14-26-10-12-27(13-11-26)23-19(24(29)30)8-9-20(25-23)18-6-3-5-17-16-4-1-2-7-21(16)31-22(17)18/h1-9,28H,10-15H2,(H,29,30)
InChIKeyGROWBKCOGDHPGI-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.93
Rot. Bonds5

About 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid

6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 118760340) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID118760340
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3c2sc2ccccc23)nc1N1CCN(CCO)CC1
InChIInChI=1S/C24H23N3O3S/c28-15-14-26-10-12-27(13-11-26)23-19(24(29)30)8-9-20(25-23)18-6-3-5-17-16-4-1-2-7-21(16)31-22(17)18/h1-9,28H,10-15H2,(H,29,30)
InChIKeyGROWBKCOGDHPGI-UHFFFAOYSA-N
XLogP3.93
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 118760340) is 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc3c2sc2ccccc23)nc1N1CCN(CCO)CC1.
What is the InChIKey of 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is GROWBKCOGDHPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-15-14-26-10-12-27(13-11-26)23-19(24(29)30)8-9-20(25-23)18-6-3-5-17-16-4-1-2-7-21(16)31-22(17)18/h1-9,28H,10-15H2,(H,29,30).
What are the key properties of 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid?
6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 433.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 118760340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).