6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine

C16H16BrClN4O — CID 178111219

IUPAC6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(C)c(Nc2c(Br)c(Cl)nc3c2ncn3C)c1C
InChIInChI=1S/C16H16BrClN4O/c1-8-5-6-10(23-4)9(2)12(8)20-13-11(17)15(18)21-16-14(13)19-7-22(16)3/h5-7H,1-4H3,(H,20,21)
InChIKeySUWOVFWDLPYUEE-UHFFFAOYSA-N
MW395.69 g/mol
LogP4.75
Rot. Bonds3

About 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine

6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine (PubChem CID 178111219) has the molecular formula C16H16BrClN4O and a molecular weight of 395.69 g/mol. Its IUPAC name is 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
PubChem CID178111219
Molecular FormulaC16H16BrClN4O
Molecular Weight395.69 g/mol
Exact Mass394.02
IUPAC Name6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
SMILESCOc1ccc(C)c(Nc2c(Br)c(Cl)nc3c2ncn3C)c1C
InChIInChI=1S/C16H16BrClN4O/c1-8-5-6-10(23-4)9(2)12(8)20-13-11(17)15(18)21-16-14(13)19-7-22(16)3/h5-7H,1-4H3,(H,20,21)
InChIKeySUWOVFWDLPYUEE-UHFFFAOYSA-N
XLogP4.75
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

7-(3-methoxy-2,6-dimethylanilino)-3-methylimidazo[4,5-b]pyridine-5-carbaldehyde
CID 178110878
6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine
CID 178111008
2-bromo-6-methoxy-9-methylpurine;ethane
CID 142303922
3-bromo-6-ethyl-4-(3-methoxy-2,6-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 178110880
tert-butyl N-[8-bromo-10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-11-yl]carbamate
CID 178110888
(6-chloro-3-methoxy-2-methylphenyl)hydrazine
CID 176780668
4-bromo-3-chloro-8-methoxy-5-methylquinoline
CID 114763949
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441
7-chloro-3,5-dimethylimidazo[4,5-b]pyridine
CID 83680448
3-bromo-7-methoxy-8-methylimidazo[1,2-a]pyridine
CID 130064778
6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine
CID 178083288
11-amino-8-cyclopropyloxy-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111133

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine (CID 178111219) is 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine is COc1ccc(C)c(Nc2c(Br)c(Cl)nc3c2ncn3C)c1C.
What is the InChIKey of 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is SUWOVFWDLPYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN4O/c1-8-5-6-10(23-4)9(2)12(8)20-13-11(17)15(18)21-16-14(13)19-7-22(16)3/h5-7H,1-4H3,(H,20,21).
What are the key properties of 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 395.69 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-N-(3-methoxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 178111219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).