2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

C46H51Br2N9O4 — CID 160523685

IUPAC2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccccc1C1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.OCCN1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1
InChIInChI=1S/C26H27BrN4O2.C20H24BrN5O2/c1-32-24-5-3-2-4-22(24)18-10-12-31(13-11-18)14-15-33-21-8-6-19(7-9-21)25-29-23-16-20(27)17-28-26(23)30-25;21-16-13-18-20(22-14-16)24-19(23-18)15-1-3-17(4-2-15)28-12-10-26-7-5-25(6-8-26)9-11-27/h2-9,16-18H,10-15H2,1H3,(H,28,29,30);1-4,13-14,27H,5-12H2,(H,22,23,24)
InChIKeyQUPRPCBAYCKYEK-UHFFFAOYSA-N
MW953.78 g/mol
LogP8.03
Rot. Bonds14

About 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 160523685) has the molecular formula C46H51Br2N9O4 and a molecular weight of 953.78 g/mol. Its IUPAC name is 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID160523685
Molecular FormulaC46H51Br2N9O4
Molecular Weight953.78 g/mol
Exact Mass951.24
IUPAC Name2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccccc1C1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.OCCN1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1
InChIInChI=1S/C26H27BrN4O2.C20H24BrN5O2/c1-32-24-5-3-2-4-22(24)18-10-12-31(13-11-18)14-15-33-21-8-6-19(7-9-21)25-29-23-16-20(27)17-28-26(23)30-25;21-16-13-18-20(22-14-16)24-19(23-18)15-1-3-17(4-2-15)28-12-10-26-7-5-25(6-8-26)9-11-27/h2-9,16-18H,10-15H2,1H3,(H,28,29,30);1-4,13-14,27H,5-12H2,(H,22,23,24)
InChIKeyQUPRPCBAYCKYEK-UHFFFAOYSA-N
XLogP8.03
TPSA140.78 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.78
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (CID 160523685) is 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is COc1ccccc1C1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.OCCN1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is QUPRPCBAYCKYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O2.C20H24BrN5O2/c1-32-24-5-3-2-4-22(24)18-10-12-31(13-11-18)14-15-33-21-8-6-19(7-9-21)25-29-23-16-20(27)17-28-26(23)30-25;21-16-13-18-20(22-14-16)24-19(23-18)15-1-3-17(4-2-15)28-12-10-26-7-5-25(6-8-26)9-11-27/h2-9,16-18H,10-15H2,1H3,(H,28,29,30);1-4,13-14,27H,5-12H2,(H,22,23,24).
What are the key properties of 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 953.78 g/mol, XLogP of 8.03, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanol;6-bromo-2-[4-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 160523685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).