3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

C23H24N4S — CID 22911463

IUPAC3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1cncc(-c2cc(C3CCN(CCc4csc5ccccc45)CC3)[nH]n2)c1
InChIInChI=1S/C23H24N4S/c1-2-6-23-20(5-1)19(16-28-23)9-13-27-11-7-17(8-12-27)21-14-22(26-25-21)18-4-3-10-24-15-18/h1-6,10,14-17H,7-9,11-13H2,(H,25,26)
InChIKeyROQIRYKFYBVIAN-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.11
Rot. Bonds5

About 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (PubChem CID 22911463) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
PubChem CID22911463
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1cncc(-c2cc(C3CCN(CCc4csc5ccccc45)CC3)[nH]n2)c1
InChIInChI=1S/C23H24N4S/c1-2-6-23-20(5-1)19(16-28-23)9-13-27-11-7-17(8-12-27)21-14-22(26-25-21)18-4-3-10-24-15-18/h1-6,10,14-17H,7-9,11-13H2,(H,25,26)
InChIKeyROQIRYKFYBVIAN-UHFFFAOYSA-N
XLogP5.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
2-[4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56666644
US10377753, Example 130
CID 124175977
4-[5-(1-Methyl-piperidin-4-yl)-2-thiophen-3-yl-1H-pyrrol-3-yl]-pyridine
CID 44399576
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
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7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine
CID 164628856
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
1-(1-benzothiophen-3-ylmethyl)-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044807
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033963
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (CID 22911463) is 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is c1cncc(-c2cc(C3CCN(CCc4csc5ccccc45)CC3)[nH]n2)c1.
What is the InChIKey of 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is ROQIRYKFYBVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S/c1-2-6-23-20(5-1)19(16-28-23)9-13-27-11-7-17(8-12-27)21-14-22(26-25-21)18-4-3-10-24-15-18/h1-6,10,14-17H,7-9,11-13H2,(H,25,26).
What are the key properties of 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 388.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[2-(1-benzothiophen-3-yl)ethyl]piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 22911463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).