N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

C46H46Br2N10O2 — CID 87972248

IUPACN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCN(c5ccccn5)CC4)cc3)[nH]c2c1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CCc1ccccc1
InChIInChI=1S/C23H23BrN6O.C23H23BrN4O/c24-18-15-20-23(26-16-18)28-22(27-20)17-4-6-19(7-5-17)31-14-13-29-9-11-30(12-10-29)21-3-1-2-8-25-21;1-28(12-11-17-5-3-2-4-6-17)13-14-29-20-9-7-18(8-10-20)22-26-21-15-19(24)16-25-23(21)27-22/h1-8,15-16H,9-14H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27)
InChIKeyLMOQIZILLDCHJP-UHFFFAOYSA-N
MW930.75 g/mol
LogP8.92
Rot. Bonds14

About N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 87972248) has the molecular formula C46H46Br2N10O2 and a molecular weight of 930.75 g/mol. Its IUPAC name is N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound NameN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID87972248
Molecular FormulaC46H46Br2N10O2
Molecular Weight930.75 g/mol
Exact Mass928.22
IUPAC NameN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCN(c5ccccn5)CC4)cc3)[nH]c2c1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CCc1ccccc1
InChIInChI=1S/C23H23BrN6O.C23H23BrN4O/c24-18-15-20-23(26-16-18)28-22(27-20)17-4-6-19(7-5-17)31-14-13-29-9-11-30(12-10-29)21-3-1-2-8-25-21;1-28(12-11-17-5-3-2-4-6-17)13-14-29-20-9-7-18(8-10-20)22-26-21-15-19(24)16-25-23(21)27-22/h1-8,15-16H,9-14H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27)
InChIKeyLMOQIZILLDCHJP-UHFFFAOYSA-N
XLogP8.92
TPSA124.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.75
LogP ≤ 58.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (CID 87972248) is N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(-c3ccc(OCCN4CCN(c5ccccn5)CC4)cc3)[nH]c2c1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CCc1ccccc1.
What is the InChIKey of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LMOQIZILLDCHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O.C23H23BrN4O/c24-18-15-20-23(26-16-18)28-22(27-20)17-4-6-19(7-5-17)31-14-13-29-9-11-30(12-10-29)21-3-1-2-8-25-21;1-28(12-11-17-5-3-2-4-6-17)13-14-29-20-9-7-18(8-10-20)22-26-21-15-19(24)16-25-23(21)27-22/h1-8,15-16H,9-14H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27).
What are the key properties of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 930.75 g/mol, XLogP of 8.92, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;6-bromo-2-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 87972248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).