N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone

C62H68Br3N13O6 — CID 87958366

IUPACN-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)Cc1ccccc1.COCCN(CCOC)CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C22H21BrN4O.C20H22BrN5O2.C20H25BrN4O3/c1-27(15-16-5-3-2-4-6-16)11-12-28-19-9-7-17(8-10-19)21-25-20-13-18(23)14-24-22(20)26-21;1-14(27)26-8-6-25(7-9-26)10-11-28-17-4-2-15(3-5-17)19-23-18-12-16(21)13-22-20(18)24-19;1-26-10-7-25(8-11-27-2)9-12-28-17-5-3-15(4-6-17)19-23-18-13-16(21)14-22-20(18)24-19/h2-10,13-14H,11-12,15H2,1H3,(H,24,25,26);2-5,12-13H,6-11H2,1H3,(H,22,23,24);3-6,13-14H,7-12H2,1-2H3,(H,22,23,24)
InChIKeyZPKWXKSLDXFBDL-UHFFFAOYSA-N
MW1331.02 g/mol
LogP11.19
Rot. Bonds23

About N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone

N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 87958366) has the molecular formula C62H68Br3N13O6 and a molecular weight of 1331.02 g/mol. Its IUPAC name is N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound NameN-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone
PubChem CID87958366
Molecular FormulaC62H68Br3N13O6
Molecular Weight1331.02 g/mol
Exact Mass1327.30
IUPAC NameN-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)Cc1ccccc1.COCCN(CCOC)CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C22H21BrN4O.C20H22BrN5O2.C20H25BrN4O3/c1-27(15-16-5-3-2-4-6-16)11-12-28-19-9-7-17(8-10-19)21-25-20-13-18(23)14-24-22(20)26-21;1-14(27)26-8-6-25(7-9-26)10-11-28-17-4-2-15(3-5-17)19-23-18-12-16(21)13-22-20(18)24-19;1-26-10-7-25(8-11-27-2)9-12-28-17-5-3-15(4-6-17)19-23-18-13-16(21)14-22-20(18)24-19/h2-10,13-14H,11-12,15H2,1H3,(H,24,25,26);2-5,12-13H,6-11H2,1H3,(H,22,23,24);3-6,13-14H,7-12H2,1-2H3,(H,22,23,24)
InChIKeyZPKWXKSLDXFBDL-UHFFFAOYSA-N
XLogP11.19
TPSA200.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.02
LogP ≤ 511.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone (CID 87958366) is N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.CN(CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)Cc1ccccc1.COCCN(CCOC)CCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone?
The InChIKey is ZPKWXKSLDXFBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O.C20H22BrN5O2.C20H25BrN4O3/c1-27(15-16-5-3-2-4-6-16)11-12-28-19-9-7-17(8-10-19)21-25-20-13-18(23)14-24-22(20)26-21;1-14(27)26-8-6-25(7-9-26)10-11-28-17-4-2-15(3-5-17)19-23-18-12-16(21)13-22-20(18)24-19;1-26-10-7-25(8-11-27-2)9-12-28-17-5-3-15(4-6-17)19-23-18-13-16(21)14-22-20(18)24-19/h2-10,13-14H,11-12,15H2,1H3,(H,24,25,26);2-5,12-13H,6-11H2,1H3,(H,22,23,24);3-6,13-14H,7-12H2,1-2H3,(H,22,23,24).
What are the key properties of N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone?
N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone has a molecular weight of 1331.02 g/mol, XLogP of 11.19, 23 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 87958366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).