6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C20H25BrN6O — CID 70681028

IUPAC6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCN(C)CC4)cc3)[nH]c12
InChIInChI=1S/C20H25BrN6O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-12-11-27-9-7-26(2)8-10-27/h3-6,13H,7-12H2,1-2H3,(H2,22,23,24,25)
InChIKeyBFGUPTUEOURPQN-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.06
Rot. Bonds6

About 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70681028) has the molecular formula C20H25BrN6O and a molecular weight of 445.37 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70681028
Molecular FormulaC20H25BrN6O
Molecular Weight445.37 g/mol
Exact Mass444.13
IUPAC Name6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCN(C)CC4)cc3)[nH]c12
InChIInChI=1S/C20H25BrN6O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-12-11-27-9-7-26(2)8-10-27/h3-6,13H,7-12H2,1-2H3,(H2,22,23,24,25)
InChIKeyBFGUPTUEOURPQN-UHFFFAOYSA-N
XLogP3.06
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 70681028) is 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(OCCN4CCN(C)CC4)cc3)[nH]c12.
What is the InChIKey of 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is BFGUPTUEOURPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN6O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-12-11-27-9-7-26(2)8-10-27/h3-6,13H,7-12H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 445.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70681028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).