4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

C16H16BrN3O — CID 63315167

IUPAC4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESCOc1cc(Br)cc(C)c1NCc1cnn2ccccc12
InChIInChI=1S/C16H16BrN3O/c1-11-7-13(17)8-15(21-2)16(11)18-9-12-10-19-20-6-4-3-5-14(12)20/h3-8,10,18H,9H2,1-2H3
InChIKeyCAXBEWVJQOQPKA-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.03
Rot. Bonds4

About 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 63315167) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID63315167
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESCOc1cc(Br)cc(C)c1NCc1cnn2ccccc12
InChIInChI=1S/C16H16BrN3O/c1-11-7-13(17)8-15(21-2)16(11)18-9-12-10-19-20-6-4-3-5-14(12)20/h3-8,10,18H,9H2,1-2H3
InChIKeyCAXBEWVJQOQPKA-UHFFFAOYSA-N
XLogP4.03
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315302
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]benzonitrile
CID 103745125
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
N-(1-benzothiophen-3-ylmethyl)-4-bromo-2-methoxy-6-methylaniline
CID 63449809
3-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311911
2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 107610370
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
2-(methoxymethyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312144
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2-methoxy-6-methylaniline
CID 62352412
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
CID 60943377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 63315167) is 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is COc1cc(Br)cc(C)c1NCc1cnn2ccccc12.
What is the InChIKey of 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is CAXBEWVJQOQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-11-7-13(17)8-15(21-2)16(11)18-9-12-10-19-20-6-4-3-5-14(12)20/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 346.23 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 63315167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).