2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C22H22ClN7O2S — CID 46867949

IUPAC2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H22ClN7O2S/c1-32-15-4-2-14(3-5-15)20-27-18-19(16(23)12-25-21(18)28-20)30-9-7-29(8-10-30)13-17(31)26-22-24-6-11-33-22/h2-6,11-12H,7-10,13H2,1H3,(H,24,26,31)(H,25,27,28)
InChIKeyYITXETAYOLIYOM-UHFFFAOYSA-N
MW483.99 g/mol
LogP3.50
Rot. Bonds6

About 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 46867949) has the molecular formula C22H22ClN7O2S and a molecular weight of 483.99 g/mol. Its IUPAC name is 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID46867949
Molecular FormulaC22H22ClN7O2S
Molecular Weight483.99 g/mol
Exact Mass483.12
IUPAC Name2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H22ClN7O2S/c1-32-15-4-2-14(3-5-15)20-27-18-19(16(23)12-25-21(18)28-20)30-9-7-29(8-10-30)13-17(31)26-22-24-6-11-33-22/h2-6,11-12H,7-10,13H2,1H3,(H,24,26,31)(H,25,27,28)
InChIKeyYITXETAYOLIYOM-UHFFFAOYSA-N
XLogP3.50
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.99
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 46867949) is 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YITXETAYOLIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O2S/c1-32-15-4-2-14(3-5-15)20-27-18-19(16(23)12-25-21(18)28-20)30-9-7-29(8-10-30)13-17(31)26-22-24-6-11-33-22/h2-6,11-12H,7-10,13H2,1H3,(H,24,26,31)(H,25,27,28).
What are the key properties of 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 483.99 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46867949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).