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

C22H23BrN6O2 — CID 46866788

IUPAC3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H23BrN6O2/c1-14-11-16(27-31-14)13-28-7-9-29(10-8-28)20-18(23)12-24-22-19(20)25-21(26-22)15-3-5-17(30-2)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,26)
InChIKeySEYBFHKBOFYLIF-UHFFFAOYSA-N
MW483.37 g/mol
LogP4.01
Rot. Bonds5

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

3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 46866788) has the molecular formula C22H23BrN6O2 and a molecular weight of 483.37 g/mol. Its IUPAC name is 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID46866788
Molecular FormulaC22H23BrN6O2
Molecular Weight483.37 g/mol
Exact Mass482.11
IUPAC Name3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H23BrN6O2/c1-14-11-16(27-31-14)13-28-7-9-29(10-8-28)20-18(23)12-24-22-19(20)25-21(26-22)15-3-5-17(30-2)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,26)
InChIKeySEYBFHKBOFYLIF-UHFFFAOYSA-N
XLogP4.01
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 46866788) is 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cc1.
What is the InChIKey of 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is SEYBFHKBOFYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O2/c1-14-11-16(27-31-14)13-28-7-9-29(10-8-28)20-18(23)12-24-22-19(20)25-21(26-22)15-3-5-17(30-2)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,26).
What are the key properties of 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 483.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 46866788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).