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

C22H27Cl2N5OS — CID 155566919

IUPAC3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(Cl)c3)sc2n1.Cl
InChIInChI=1S/C22H26ClN5OS.ClH/c1-13-11-14(2)27-22-18(13)19(24)20(30-22)21(29)26-6-5-15-3-4-17(16(23)12-15)28-9-7-25-8-10-28;/h3-4,11-12,25H,5-10,24H2,1-2H3,(H,26,29);1H
InChIKeyCQZMGNJHVMJEIC-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.95
Rot. Bonds5

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

3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 155566919) has the molecular formula C22H27Cl2N5OS and a molecular weight of 480.47 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID155566919
Molecular FormulaC22H27Cl2N5OS
Molecular Weight480.47 g/mol
Exact Mass479.13
IUPAC Name3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(Cl)c3)sc2n1.Cl
InChIInChI=1S/C22H26ClN5OS.ClH/c1-13-11-14(2)27-22-18(13)19(24)20(30-22)21(29)26-6-5-15-3-4-17(16(23)12-15)28-9-7-25-8-10-28;/h3-4,11-12,25H,5-10,24H2,1-2H3,(H,26,29);1H
InChIKeyCQZMGNJHVMJEIC-UHFFFAOYSA-N
XLogP3.95
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
8,10-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
CID 2816682
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2793404
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-(4-chlorobenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1005651

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 155566919) is 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1cc(C)c2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(Cl)c3)sc2n1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is CQZMGNJHVMJEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5OS.ClH/c1-13-11-14(2)27-22-18(13)19(24)20(30-22)21(29)26-6-5-15-3-4-17(16(23)12-15)28-9-7-25-8-10-28;/h3-4,11-12,25H,5-10,24H2,1-2H3,(H,26,29);1H.
What are the key properties of 3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 480.47 g/mol, XLogP of 3.95, 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-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155566919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).