4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole

C21H21BrN6OS — CID 46866896

IUPAC4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cscn5)CC4)c3[nH]2)cc1
InChIInChI=1S/C21H21BrN6OS/c1-29-16-4-2-14(3-5-16)20-25-18-19(17(22)10-23-21(18)26-20)28-8-6-27(7-9-28)11-15-12-30-13-24-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,25,26)
InChIKeyNTHPWFWTUVCOKW-UHFFFAOYSA-N
MW485.41 g/mol
LogP4.17
Rot. Bonds5

About 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole

4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 46866896) has the molecular formula C21H21BrN6OS and a molecular weight of 485.41 g/mol. Its IUPAC name is 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID46866896
Molecular FormulaC21H21BrN6OS
Molecular Weight485.41 g/mol
Exact Mass484.07
IUPAC Name4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cscn5)CC4)c3[nH]2)cc1
InChIInChI=1S/C21H21BrN6OS/c1-29-16-4-2-14(3-5-16)20-25-18-19(17(22)10-23-21(18)26-20)28-8-6-27(7-9-28)11-15-12-30-13-24-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,25,26)
InChIKeyNTHPWFWTUVCOKW-UHFFFAOYSA-N
XLogP4.17
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 46866896) is 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cscn5)CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is NTHPWFWTUVCOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6OS/c1-29-16-4-2-14(3-5-16)20-25-18-19(17(22)10-23-21(18)26-20)28-8-6-27(7-9-28)11-15-12-30-13-24-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,23,25,26).
What are the key properties of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole?
4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 485.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 46866896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).