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

C24H28BrN7O — CID 25153837

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

1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 25153837) has the molecular formula C24H28BrN7O and a molecular weight of 510.44 g/mol. Its IUPAC name is 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
• PubChem CID: 25153837
• Molecular Formula: C24H28BrN7O
• Molecular Weight: 510.44 g/mol
• Exact Mass: 509.15
• IUPAC Name: 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
• SMILES: Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN(C)C)cc5)[nH]c34)CC2)no1
• InChI: InChI=1S/C24H28BrN7O/c1-16-12-19(29-33-16)15-31-8-10-32(11-9-31)22-20(25)13-26-24-21(22)27-23(28-24)18-6-4-17(5-7-18)14-30(2)3/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,26,27,28)
• InChIKey: MAAOTDJLPPSMRD-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 77.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.44
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine (CID 25153837) is 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine is Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN(C)C)cc5)[nH]c34)CC2)no1.

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

The InChIKey is MAAOTDJLPPSMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN7O/c1-16-12-19(29-33-16)15-31-8-10-32(11-9-31)22-20(25)13-26-24-21(22)27-23(28-24)18-6-4-17(5-7-18)14-30(2)3/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,26,27,28).

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

1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 510.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-bromo-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 25153837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).