6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine

C98H119Br5Cl2N18O10Sn — CID 159456493

IUPAC6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine
SMILESCCN(CC)CC.CCO.CCOc1ccc(CN)cc1.CCOc1ccc(CNc2ncc(Br)cc2N)cc1.CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1.CCOc1ccc(Cn2cnc3cc(Br)cnc32)cc1.CCOc1ccc(Cn2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.CCc1ccc(CN)cc1.Cl[Sn]Cl.O=[N+]([O-])c1cc(Br)cnc1Br
InChIInChI=1S/C24H26N4O.C15H14BrN3O.C14H14BrN3O3.C14H16BrN3O.C9H13NO.C9H13N.C6H15N.C5H2Br2N2O2.C2H6O.2ClH.Sn/c1-3-18-5-7-19(8-6-18)14-25-21-13-23-24(26-15-21)28(17-27-23)16-20-9-11-22(12-10-20)29-4-2;1-2-20-13-5-3-11(4-6-13)9-19-10-18-14-7-12(16)8-17-15(14)19;1-2-21-12-5-3-10(4-6-12)8-16-14-13(18(19)20)7-11(15)9-17-14;1-2-19-12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14;1-2-11-9-5-3-8(7-10)4-6-9;1-2-8-3-5-9(7-10)6-4-8;1-4-7(5-2)6-3;6-3-1-4(9(10)11)5(7)8-2-3;1-2-3;;;/h5-13,15,17,25H,3-4,14,16H2,1-2H3;3-8,10H,2,9H2,1H3;3-7,9H,2,8H2,1H3,(H,16,17);3-7,9H,2,8,16H2,1H3,(H,17,18);3-6H,2,7,10H2,1H3;3-6H,2,7,10H2,1H3;4-6H2,1-3H3;1-2H;3H,2H2,1H3;2*1H;/q;;;;;;;;;;;+2/p-2
InChIKeyLUAUGEYMHLVISK-UHFFFAOYSA-L
MW2298.28 g/mol
LogP24.01
Rot. Bonds32

About 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine

6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine (PubChem CID 159456493) has the molecular formula C98H119Br5Cl2N18O10Sn and a molecular weight of 2298.28 g/mol. Its IUPAC name is 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine.

Molecular Properties

Compound Name6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine
PubChem CID159456493
Molecular FormulaC98H119Br5Cl2N18O10Sn
Molecular Weight2298.28 g/mol
Exact Mass2292.37
IUPAC Name6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine
SMILESCCN(CC)CC.CCO.CCOc1ccc(CN)cc1.CCOc1ccc(CNc2ncc(Br)cc2N)cc1.CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1.CCOc1ccc(Cn2cnc3cc(Br)cnc32)cc1.CCOc1ccc(Cn2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.CCc1ccc(CN)cc1.Cl[Sn]Cl.O=[N+]([O-])c1cc(Br)cnc1Br
InChIInChI=1S/C24H26N4O.C15H14BrN3O.C14H14BrN3O3.C14H16BrN3O.C9H13NO.C9H13N.C6H15N.C5H2Br2N2O2.C2H6O.2ClH.Sn/c1-3-18-5-7-19(8-6-18)14-25-21-13-23-24(26-15-21)28(17-27-23)16-20-9-11-22(12-10-20)29-4-2;1-2-20-13-5-3-11(4-6-13)9-19-10-18-14-7-12(16)8-17-15(14)19;1-2-21-12-5-3-10(4-6-12)8-16-14-13(18(19)20)7-11(15)9-17-14;1-2-19-12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14;1-2-11-9-5-3-8(7-10)4-6-9;1-2-8-3-5-9(7-10)6-4-8;1-4-7(5-2)6-3;6-3-1-4(9(10)11)5(7)8-2-3;1-2-3;;;/h5-13,15,17,25H,3-4,14,16H2,1-2H3;3-8,10H,2,9H2,1H3;3-7,9H,2,8H2,1H3,(H,16,17);3-7,9H,2,8,16H2,1H3,(H,17,18);3-6H,2,7,10H2,1H3;3-6H,2,7,10H2,1H3;4-6H2,1-3H3;1-2H;3H,2H2,1H3;2*1H;/q;;;;;;;;;;;+2/p-2
InChIKeyLUAUGEYMHLVISK-UHFFFAOYSA-L
XLogP24.01
TPSA370.14 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002298.28
LogP ≤ 524.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine with MolForge

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Related Compounds

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
[(2R)-1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-2-yl]methanol;6-bromo-2-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
CID 87967934
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
[4-(6-amino-5-nitro-3-pyridinyl)piperazin-1-yl]-methylborinic acid;5-bromo-3-nitropyridin-2-amine;methane;methyl-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperazin-1-yl]borinic acid;methyl(piperazin-1-yl)borinic acid;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-6-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
CID 157489112
1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethylamino]propan-2-ol;6-bromo-2-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
CID 158029019
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 158659860
6-bromo-N-cyclohexyl-2-(4-methyl-3-phenylmethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;2-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-5-methylphenol;6-bromo-N-(2,6-dimethylphenyl)-2-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyridin-3-amine;2-[3-(2,6-dimethylanilino)-6-nitroimidazo[1,2-a]pyridin-2-yl]-5-methylphenol;N-(2,6-dimethylphenyl)-2-(3-methoxy-4-methylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 159072817
[1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-2-yl]methanol;6-bromo-2-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
CID 159748537
4-(6-bromo-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline;6-bromo-7-methyl-2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridine;6-bromo-7-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 160297392
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
6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine;methane
CID 160747979
N-benzyl-6-bromo-2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine;6-bromo-N-cyclohexyl-2-(4-methyl-3-phenylmethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;2-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-5-methylphenol;6-bromo-N-(2,6-dimethylphenyl)-2-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyridin-3-amine;2-[3-(2,6-dimethylanilino)-6-nitroimidazo[1,2-a]pyridin-2-yl]-5-methylphenol;N-(2,6-dimethylphenyl)-2-(3-methoxy-4-methylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 161966516

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine?
The IUPAC name of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine (CID 159456493) is 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine.
What is the SMILES notation for 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine?
The canonical SMILES for 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine is CCN(CC)CC.CCO.CCOc1ccc(CN)cc1.CCOc1ccc(CNc2ncc(Br)cc2N)cc1.CCOc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1.CCOc1ccc(Cn2cnc3cc(Br)cnc32)cc1.CCOc1ccc(Cn2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1.CCc1ccc(CN)cc1.Cl[Sn]Cl.O=[N+]([O-])c1cc(Br)cnc1Br.
What is the InChIKey of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine?
The InChIKey is LUAUGEYMHLVISK-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H26N4O.C15H14BrN3O.C14H14BrN3O3.C14H16BrN3O.C9H13NO.C9H13N.C6H15N.C5H2Br2N2O2.C2H6O.2ClH.Sn/c1-3-18-5-7-19(8-6-18)14-25-21-13-23-24(26-15-21)28(17-27-23)16-20-9-11-22(12-10-20)29-4-2;1-2-20-13-5-3-11(4-6-13)9-19-10-18-14-7-12(16)8-17-15(14)19;1-2-21-12-5-3-10(4-6-12)8-16-14-13(18(19)20)7-11(15)9-17-14;1-2-19-12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14;1-2-11-9-5-3-8(7-10)4-6-9;1-2-8-3-5-9(7-10)6-4-8;1-4-7(5-2)6-3;6-3-1-4(9(10)11)5(7)8-2-3;1-2-3;;;/h5-13,15,17,25H,3-4,14,16H2,1-2H3;3-8,10H,2,9H2,1H3;3-7,9H,2,8H2,1H3,(H,16,17);3-7,9H,2,8,16H2,1H3,(H,17,18);3-6H,2,7,10H2,1H3;3-6H,2,7,10H2,1H3;4-6H2,1-3H3;1-2H;3H,2H2,1H3;2*1H;/q;;;;;;;;;;;+2/p-2.
What are the key properties of 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine?
6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine has a molecular weight of 2298.28 g/mol, XLogP of 24.01, 32 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-ethoxyphenyl)methyl]imidazo[4,5-b]pyridine;5-bromo-N-[(4-ethoxyphenyl)methyl]-3-nitropyridin-2-amine;5-bromo-2-N-[(4-ethoxyphenyl)methyl]pyridine-2,3-diamine;2,5-dibromo-3-nitropyridine;dichlorotin;N,N-diethylethanamine;ethanol;(4-ethoxyphenyl)methanamine;3-[(4-ethoxyphenyl)methyl]-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine;(4-ethylphenyl)methanamine is sourced from PubChem (CID 159456493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).