N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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

C66H67Br3N16O3 — CID 87958674

IUPACN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCN(c5ccccn5)CC4)cc3)[nH]c2c1.Brc1cnc2nc(-c3ccc(OCCNCCCn4ccnc4)cc3)[nH]c2c1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CCc1ccccc1
InChIInChI=1S/C23H23BrN6O.C23H23BrN4O.C20H21BrN6O/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;21-16-12-18-20(24-13-16)26-19(25-18)15-2-4-17(5-3-15)28-11-8-22-6-1-9-27-10-7-23-14-27/h1-8,15-16H,9-14H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27);2-5,7,10,12-14,22H,1,6,8-9,11H2,(H,24,25,26)
InChIKeyRMPFIFIFVWAEIU-UHFFFAOYSA-N
MW1372.08 g/mol
LogP12.57
Rot. Bonds23

About N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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]-3-imidazol-1-ylpropan-1-amine;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 87958674) has the molecular formula C66H67Br3N16O3 and a molecular weight of 1372.08 g/mol. Its IUPAC name is N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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]-3-imidazol-1-ylpropan-1-amine;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 CID87958674
Molecular FormulaC66H67Br3N16O3
Molecular Weight1372.08 g/mol
Exact Mass1368.31
IUPAC NameN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCN(c5ccccn5)CC4)cc3)[nH]c2c1.Brc1cnc2nc(-c3ccc(OCCNCCCn4ccnc4)cc3)[nH]c2c1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CCc1ccccc1
InChIInChI=1S/C23H23BrN6O.C23H23BrN4O.C20H21BrN6O/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;21-16-12-18-20(24-13-16)26-19(25-18)15-2-4-17(5-3-15)28-11-8-22-6-1-9-27-10-7-23-14-27/h1-8,15-16H,9-14H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27);2-5,7,10,12-14,22H,1,6,8-9,11H2,(H,24,25,26)
InChIKeyRMPFIFIFVWAEIU-UHFFFAOYSA-N
XLogP12.57
TPSA204.86 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.08
LogP ≤ 512.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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 with MolForge

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Related Compounds

6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46868651
6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70681026
6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70681028
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683150
6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683152
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689443
6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689445
2-Phenyl-1-[1-piperidin-4-yl-2-[4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]phenoxy]ethyl]benzimidazole
CID 90644520
N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine
CID 70689442
6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70695751

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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]-3-imidazol-1-ylpropan-1-amine;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 87958674) is N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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]-3-imidazol-1-ylpropan-1-amine;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]-3-imidazol-1-ylpropan-1-amine;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.Brc1cnc2nc(-c3ccc(OCCNCCCn4ccnc4)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]-3-imidazol-1-ylpropan-1-amine;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 RMPFIFIFVWAEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O.C23H23BrN4O.C20H21BrN6O/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;21-16-12-18-20(24-13-16)26-19(25-18)15-2-4-17(5-3-15)28-11-8-22-6-1-9-27-10-7-23-14-27/h1-8,15-16H,9-14H2,(H,26,27,28);2-10,15-16H,11-14H2,1H3,(H,25,26,27);2-5,7,10,12-14,22H,1,6,8-9,11H2,(H,24,25,26).
What are the key properties of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-3-imidazol-1-ylpropan-1-amine;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]-3-imidazol-1-ylpropan-1-amine;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 1372.08 g/mol, XLogP of 12.57, 23 rotatable bonds, 4 hydrogen bond donors, and 16 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]-3-imidazol-1-ylpropan-1-amine;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 87958674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).