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

C25H25BrN8O — CID 46868087

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

3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 46868087) has the molecular formula C25H25BrN8O and a molecular weight of 533.43 g/mol. Its IUPAC name is 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
• PubChem CID: 46868087
• Molecular Formula: C25H25BrN8O
• Molecular Weight: 533.43 g/mol
• Exact Mass: 532.13
• IUPAC Name: 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
• SMILES: Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(Cn6cccn6)cc5)[nH]c34)CC2)no1
• InChI: InChI=1S/C25H25BrN8O/c1-17-13-20(31-35-17)16-32-9-11-33(12-10-32)23-21(26)14-27-25-22(23)29-24(30-25)19-5-3-18(4-6-19)15-34-8-2-7-28-34/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,29,30)
• InChIKey: GJXNCIVQXIAUQN-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 91.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.43
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-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-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 46868087) is 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-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-(pyrazol-1-ylmethyl)phenyl]-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-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(Cn6cccn6)cc5)[nH]c34)CC2)no1.

What is the InChIKey of 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?

The InChIKey is GJXNCIVQXIAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN8O/c1-17-13-20(31-35-17)16-32-9-11-33(12-10-32)23-21(26)14-27-25-22(23)29-24(30-25)19-5-3-18(4-6-19)15-34-8-2-7-28-34/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,29,30).

What are the key properties of 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?

3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 533.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[6-bromo-2-[4-(pyrazol-1-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 46868087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).