3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride

C21H24Cl2FN5OS — CID 155549383

IUPAC3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCNCC4)c(Cl)c3)sc2n1.Cl
InChIInChI=1S/C21H23ClFN5OS.ClH/c1-12-2-3-14-17(24)19(30-21(14)27-12)20(29)26-5-4-13-10-15(22)18(16(23)11-13)28-8-6-25-7-9-28;/h2-3,10-11,25H,4-9,24H2,1H3,(H,26,29);1H
InChIKeyWFFBLSDBBSSQSB-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.78
Rot. Bonds5

About 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride

3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 155549383) has the molecular formula C21H24Cl2FN5OS and a molecular weight of 484.43 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID155549383
Molecular FormulaC21H24Cl2FN5OS
Molecular Weight484.43 g/mol
Exact Mass483.11
IUPAC Name3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCNCC4)c(Cl)c3)sc2n1.Cl
InChIInChI=1S/C21H23ClFN5OS.ClH/c1-12-2-3-14-17(24)19(30-21(14)27-12)20(29)26-5-4-13-10-15(22)18(16(23)11-13)28-8-6-25-7-9-28;/h2-3,10-11,25H,4-9,24H2,1H3,(H,26,29);1H
InChIKeyWFFBLSDBBSSQSB-UHFFFAOYSA-N
XLogP3.78
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
Dopamine D2 receptor agonist-2
CID 90645289
3-amino-N-(2-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734380
3-(2-chlorobenzyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
CID 998877
3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1025279
8-amino-N-(4-chlorophenyl)-3,4-dihydro-2H-1,4-ethanothieno[2,3-b][1,5]naphthyridine-7-carboxamide
CID 4898908
3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 4916510

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 155549383) is 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCNCC4)c(Cl)c3)sc2n1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is WFFBLSDBBSSQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5OS.ClH/c1-12-2-3-14-17(24)19(30-21(14)27-12)20(29)26-5-4-13-10-15(22)18(16(23)11-13)28-8-6-25-7-9-28;/h2-3,10-11,25H,4-9,24H2,1H3,(H,26,29);1H.
What are the key properties of 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 484.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chloro-5-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155549383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).