6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine

C23H21N3S — CID 166882834

IUPAC6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine
SMILESc1cncc(-c2cc3ccc(-c4ccc(N5CCCCC5)cc4)nc3s2)c1
InChIInChI=1S/C23H21N3S/c1-2-13-26(14-3-1)20-9-6-17(7-10-20)21-11-8-18-15-22(27-23(18)25-21)19-5-4-12-24-16-19/h4-12,15-16H,1-3,13-14H2
InChIKeyPHIVQKBGDHDILB-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.02
Rot. Bonds3

About 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine

6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine (PubChem CID 166882834) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine
PubChem CID166882834
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC Name6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine
SMILESc1cncc(-c2cc3ccc(-c4ccc(N5CCCCC5)cc4)nc3s2)c1
InChIInChI=1S/C23H21N3S/c1-2-13-26(14-3-1)20-9-6-17(7-10-20)21-11-8-18-15-22(27-23(18)25-21)19-5-4-12-24-16-19/h4-12,15-16H,1-3,13-14H2
InChIKeyPHIVQKBGDHDILB-UHFFFAOYSA-N
XLogP6.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
2-pyridin-2-yl-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[2,3-b]pyridine
CID 123407253
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
4-piperidin-1-yl-2-pyridin-3-ylaniline
CID 171118345
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
CID 155629099
6-[4-(3-fluoropropyl)piperidin-1-yl]-2-pyridin-3-ylthieno[2,3-b]pyridine
CID 166882821
2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
CID 155628557
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
2-[1-(2-pyridin-3-ylthieno[2,3-b]pyridin-6-yl)piperidin-4-yl]oxyethylphosphane
CID 167073464
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114479
2-fluoro-4-[6-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]-N-methylaniline;2-fluoro-4-[6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-N-methylaniline;2-fluoro-4-[6-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-N-methylaniline;6-(6-fluoro-3-pyridinyl)-2-(6-methyl-3-pyridinyl)thieno[2,3-b]pyridine;6-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine;6-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-b]pyridine
CID 160524471
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334

Frequently Asked Questions

What is the IUPAC name of 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine?
The IUPAC name of 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine (CID 166882834) is 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine?
The canonical SMILES for 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine is c1cncc(-c2cc3ccc(-c4ccc(N5CCCCC5)cc4)nc3s2)c1.
What is the InChIKey of 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine?
The InChIKey is PHIVQKBGDHDILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3S/c1-2-13-26(14-3-1)20-9-6-17(7-10-20)21-11-8-18-15-22(27-23(18)25-21)19-5-4-12-24-16-19/h4-12,15-16H,1-3,13-14H2.
What are the key properties of 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine?
6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine has a molecular weight of 371.51 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 166882834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).