1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine

C14H11BrFN3O — CID 84610478

IUPAC1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine
SMILESCOc1ccc(-c2nc(Br)c3ccc(N)cn23)cc1F
InChIInChI=1S/C14H11BrFN3O/c1-20-12-5-2-8(6-10(12)16)14-18-13(15)11-4-3-9(17)7-19(11)14/h2-7H,17H2,1H3
InChIKeyCJQSBWMNLLVMBO-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.49
Rot. Bonds2

About 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine

1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine (PubChem CID 84610478) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine
PubChem CID84610478
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine
SMILESCOc1ccc(-c2nc(Br)c3ccc(N)cn23)cc1F
InChIInChI=1S/C14H11BrFN3O/c1-20-12-5-2-8(6-10(12)16)14-18-13(15)11-4-3-9(17)7-19(11)14/h2-7H,17H2,1H3
InChIKeyCJQSBWMNLLVMBO-UHFFFAOYSA-N
XLogP3.49
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine
CID 84745174
1-bromo-3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine
CID 28798088
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
1-bromo-3-(3,4-dimethoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 84745416
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
1-bromo-3-tert-butylimidazo[1,5-a]pyridin-6-amine
CID 83844680
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-(3-fluoro-4-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556948
6-(3-fluoro-4-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556617
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine (CID 84610478) is 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine is COc1ccc(-c2nc(Br)c3ccc(N)cn23)cc1F.
What is the InChIKey of 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine?
The InChIKey is CJQSBWMNLLVMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c1-20-12-5-2-8(6-10(12)16)14-18-13(15)11-4-3-9(17)7-19(11)14/h2-7H,17H2,1H3.
What are the key properties of 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine?
1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine has a molecular weight of 336.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-fluoro-4-methoxyphenyl)imidazo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 84610478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).