6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine

C14H13BrN4O — CID 79306649

IUPAC6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(-n2c(N)nc3cc(Br)cnc32)c(C)c1
InChIInChI=1S/C14H13BrN4O/c1-8-5-10(20-2)3-4-12(8)19-13-11(18-14(19)16)6-9(15)7-17-13/h3-7H,1-2H3,(H2,16,18)
InChIKeyUUPPOQHFBLMXRQ-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.08
Rot. Bonds2

About 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306649) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79306649
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(-n2c(N)nc3cc(Br)cnc32)c(C)c1
InChIInChI=1S/C14H13BrN4O/c1-8-5-10(20-2)3-4-12(8)19-13-11(18-14(19)16)6-9(15)7-17-13/h3-7H,1-2H3,(H2,16,18)
InChIKeyUUPPOQHFBLMXRQ-UHFFFAOYSA-N
XLogP3.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-(2-bromo-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79302159
1-(4-methoxy-2-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79295266
6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 79306056
6-bromo-3-(2,4,5-trichlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306931
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306062
6-bromo-3-(2-bromo-5-chlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 81275226
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306193
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79280401
3-(2,5-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301322
6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79279326

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine (CID 79306649) is 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine is COc1ccc(-n2c(N)nc3cc(Br)cnc32)c(C)c1.
What is the InChIKey of 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is UUPPOQHFBLMXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-8-5-10(20-2)3-4-12(8)19-13-11(18-14(19)16)6-9(15)7-17-13/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 333.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).