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

C25H30BrN7OS — CID 25152989

IUPAC2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine
SMILESCc1nc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(OCCN(C)C)cc5)[nH]c34)CC2)cs1
InChIInChI=1S/C25H30BrN7OS/c1-17-28-19(16-35-17)15-32-8-10-33(11-9-32)23-21(26)14-27-25-22(23)29-24(30-25)18-4-6-20(7-5-18)34-13-12-31(2)3/h4-7,14,16H,8-13,15H2,1-3H3,(H,27,29,30)
InChIKeyLOWMFZVUNHUGCT-UHFFFAOYSA-N
MW556.53 g/mol
LogP4.41
Rot. Bonds8

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

2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 25152989) has the molecular formula C25H30BrN7OS and a molecular weight of 556.53 g/mol. Its IUPAC name is 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID25152989
Molecular FormulaC25H30BrN7OS
Molecular Weight556.53 g/mol
Exact Mass555.14
IUPAC Name2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine
SMILESCc1nc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(OCCN(C)C)cc5)[nH]c34)CC2)cs1
InChIInChI=1S/C25H30BrN7OS/c1-17-28-19(16-35-17)15-32-8-10-33(11-9-32)23-21(26)14-27-25-22(23)29-24(30-25)18-4-6-20(7-5-18)34-13-12-31(2)3/h4-7,14,16H,8-13,15H2,1-3H3,(H,27,29,30)
InChIKeyLOWMFZVUNHUGCT-UHFFFAOYSA-N
XLogP4.41
TPSA73.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine with MolForge

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Launch Full Analysis

Related Compounds

2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
2-(4-(6-Cyclopropyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 25151216
6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784
6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridine
CID 46866785
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
4-((4-(6-Bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)thiazole
CID 46866896
6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46868651
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
CID 44530468
6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70681026
6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70681028
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683150
6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine (CID 25152989) is 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine is Cc1nc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(OCCN(C)C)cc5)[nH]c34)CC2)cs1.
What is the InChIKey of 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is LOWMFZVUNHUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN7OS/c1-17-28-19(16-35-17)15-32-8-10-33(11-9-32)23-21(26)14-27-25-22(23)29-24(30-25)18-4-6-20(7-5-18)34-13-12-31(2)3/h4-7,14,16H,8-13,15H2,1-3H3,(H,27,29,30).
What are the key properties of 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine?
2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 556.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-7-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 25152989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).