5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C20H21BrN4OS — CID 155287783

IUPAC5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CC1
InChIInChI=1S/C20H21BrN4OS/c1-2-24-7-9-25(10-8-24)17-5-3-16(4-6-17)23-19(26)18-12-14-11-15(21)13-22-20(14)27-18/h3-6,11-13H,2,7-10H2,1H3,(H,23,26)
InChIKeyZQVWOWHNUIYBLL-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.45
Rot. Bonds4

About 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155287783) has the molecular formula C20H21BrN4OS and a molecular weight of 445.39 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155287783
Molecular FormulaC20H21BrN4OS
Molecular Weight445.39 g/mol
Exact Mass444.06
IUPAC Name5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CC1
InChIInChI=1S/C20H21BrN4OS/c1-2-24-7-9-25(10-8-24)17-5-3-16(4-6-17)23-19(26)18-12-14-11-15(21)13-22-20(14)27-18/h3-6,11-13H,2,7-10H2,1H3,(H,23,26)
InChIKeyZQVWOWHNUIYBLL-UHFFFAOYSA-N
XLogP4.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 17488532
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17495429
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186876
5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 155287783) is 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cc4cc(Br)cnc4s3)cc2)CC1.
What is the InChIKey of 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZQVWOWHNUIYBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4OS/c1-2-24-7-9-25(10-8-24)17-5-3-16(4-6-17)23-19(26)18-12-14-11-15(21)13-22-20(14)27-18/h3-6,11-13H,2,7-10H2,1H3,(H,23,26).
What are the key properties of 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155287783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).