4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline

C20H17BrN4O — CID 10070065

IUPAC4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C20H17BrN4O/c1-26-18-5-3-2-4-14(18)11-22-16-8-6-13(7-9-16)19-24-17-10-15(21)12-23-20(17)25-19/h2-10,12,22H,11H2,1H3,(H,23,24,25)
InChIKeyXOEANHUMPMLFMJ-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.01
Rot. Bonds5

About 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 10070065) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID10070065
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C20H17BrN4O/c1-26-18-5-3-2-4-14(18)11-22-16-8-6-13(7-9-16)19-24-17-10-15(21)12-23-20(17)25-19/h2-10,12,22H,11H2,1H3,(H,23,24,25)
InChIKeyXOEANHUMPMLFMJ-UHFFFAOYSA-N
XLogP5.01
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 10252276
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 87736334
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816
2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 10004038
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(thiophen-3-ylmethyl)aniline;bis(2,2,2-trifluoroacetic acid)
CID 87736385
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 54939914
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-phenylmethanimine
CID 110170715
5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione
CID 43823713
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 10074205

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline (CID 10070065) is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline is COc1ccccc1CNc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is XOEANHUMPMLFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-26-18-5-3-2-4-14(18)11-22-16-8-6-13(7-9-16)19-24-17-10-15(21)12-23-20(17)25-19/h2-10,12,22H,11H2,1H3,(H,23,24,25).
What are the key properties of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline?
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 409.29 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 10070065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).