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

C24H27BrN8OS — CID 46867947

IUPAC2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C)Cc1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H27BrN8OS/c1-31(2)14-16-3-5-17(6-4-16)22-29-20-21(18(25)13-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,26,28,34)(H,27,29,30)
InChIKeyFZHMGMAFTBBYMC-UHFFFAOYSA-N
MW555.51 g/mol
LogP3.67
Rot. Bonds7

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

2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 46867947) has the molecular formula C24H27BrN8OS and a molecular weight of 555.51 g/mol. Its IUPAC name is 2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]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-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID46867947
Molecular FormulaC24H27BrN8OS
Molecular Weight555.51 g/mol
Exact Mass554.12
IUPAC Name2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C)Cc1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H27BrN8OS/c1-31(2)14-16-3-5-17(6-4-16)22-29-20-21(18(25)13-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,26,28,34)(H,27,29,30)
InChIKeyFZHMGMAFTBBYMC-UHFFFAOYSA-N
XLogP3.67
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-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-bromo-2-[4-[(dimethylamino)methyl]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-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 46867947) is 2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]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-[4-[(dimethylamino)methyl]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-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN(C)Cc1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FZHMGMAFTBBYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN8OS/c1-31(2)14-16-3-5-17(6-4-16)22-29-20-21(18(25)13-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,26,28,34)(H,27,29,30).
What are the key properties of 2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 555.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-2-[4-[(dimethylamino)methyl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46867947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).