5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde

C20H20N4OS — CID 142857970

IUPAC5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(CN3CCN(c4ccccn4)CC3)n2)s1
InChIInChI=1S/C20H20N4OS/c25-15-17-7-8-19(26-17)18-5-3-4-16(22-18)14-23-10-12-24(13-11-23)20-6-1-2-9-21-20/h1-9,15H,10-14H2
InChIKeyHDZXXNMZBRUTKC-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.34
Rot. Bonds5

About 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde

5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde (PubChem CID 142857970) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde
PubChem CID142857970
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(CN3CCN(c4ccccn4)CC3)n2)s1
InChIInChI=1S/C20H20N4OS/c25-15-17-7-8-19(26-17)18-5-3-4-16(22-18)14-23-10-12-24(13-11-23)20-6-1-2-9-21-20/h1-9,15H,10-14H2
InChIKeyHDZXXNMZBRUTKC-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234166
1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 791316
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 171335389
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde (CID 142857970) is 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2cccc(CN3CCN(c4ccccn4)CC3)n2)s1.
What is the InChIKey of 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde?
The InChIKey is HDZXXNMZBRUTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-15-17-7-8-19(26-17)18-5-3-4-16(22-18)14-23-10-12-24(13-11-23)20-6-1-2-9-21-20/h1-9,15H,10-14H2.
What are the key properties of 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde?
5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde has a molecular weight of 364.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 142857970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).