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

C21H20BrN7OS — CID 46867948

IUPAC2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2c(Br)cnc3nc(-c4ccccc4)[nH]c23)CC1)Nc1nccs1
InChIInChI=1S/C21H20BrN7OS/c22-15-12-24-20-17(26-19(27-20)14-4-2-1-3-5-14)18(15)29-9-7-28(8-10-29)13-16(30)25-21-23-6-11-31-21/h1-6,11-12H,7-10,13H2,(H,23,25,30)(H,24,26,27)
InChIKeyCVZQTKSFZPNWGS-UHFFFAOYSA-N
MW498.41 g/mol
LogP3.60
Rot. Bonds5

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

2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 46867948) has the molecular formula C21H20BrN7OS and a molecular weight of 498.41 g/mol. Its IUPAC name is 2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID46867948
Molecular FormulaC21H20BrN7OS
Molecular Weight498.41 g/mol
Exact Mass497.06
IUPAC Name2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2c(Br)cnc3nc(-c4ccccc4)[nH]c23)CC1)Nc1nccs1
InChIInChI=1S/C21H20BrN7OS/c22-15-12-24-20-17(26-19(27-20)14-4-2-1-3-5-14)18(15)29-9-7-28(8-10-29)13-16(30)25-21-23-6-11-31-21/h1-6,11-12H,7-10,13H2,(H,23,25,30)(H,24,26,27)
InChIKeyCVZQTKSFZPNWGS-UHFFFAOYSA-N
XLogP3.60
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-2-phenyl-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-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 46867948) is 2-[4-(6-bromo-2-phenyl-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-bromo-2-phenyl-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-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2c(Br)cnc3nc(-c4ccccc4)[nH]c23)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CVZQTKSFZPNWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN7OS/c22-15-12-24-20-17(26-19(27-20)14-4-2-1-3-5-14)18(15)29-9-7-28(8-10-29)13-16(30)25-21-23-6-11-31-21/h1-6,11-12H,7-10,13H2,(H,23,25,30)(H,24,26,27).
What are the key properties of 2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 498.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46867948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).