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

C26H27BrF3N7 — CID 25151218

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

1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 25151218) has the molecular formula C26H27BrF3N7 and a molecular weight of 574.45 g/mol. Its IUPAC name is 1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
• PubChem CID: 25151218
• Molecular Formula: C26H27BrF3N7
• Molecular Weight: 574.45 g/mol
• Exact Mass: 573.15
• IUPAC Name: 1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
• SMILES: CN(C)Cc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C26H27BrF3N7/c1-35(2)15-17-3-6-19(7-4-17)24-33-22-23(20(27)14-32-25(22)34-24)37-11-9-36(10-12-37)16-18-5-8-21(31-13-18)26(28,29)30/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,32,33,34)
• InChIKey: FJYXXRTVEMMYHZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 64.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.45
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine (CID 25151218) is 1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)c3[nH]2)cc1.

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

The InChIKey is FJYXXRTVEMMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrF3N7/c1-35(2)15-17-3-6-19(7-4-17)24-33-22-23(20(27)14-32-25(22)34-24)37-11-9-36(10-12-37)16-18-5-8-21(31-13-18)26(28,29)30/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,32,33,34).

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

1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 574.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-bromo-7-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 25151218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).