2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

C16H15BrFN3 — CID 103127872

IUPAC2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1cnn2ccccc12
InChIInChI=1S/C16H15BrFN3/c1-19-14(9-11-5-4-6-13(18)16(11)17)12-10-20-21-8-3-2-7-15(12)21/h2-8,10,14,19H,9H2,1H3
InChIKeyAJQWPUCFIZALKH-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.74
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine (PubChem CID 103127872) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
PubChem CID103127872
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1cnn2ccccc12
InChIInChI=1S/C16H15BrFN3/c1-19-14(9-11-5-4-6-13(18)16(11)17)12-10-20-21-8-3-2-7-15(12)21/h2-8,10,14,19H,9H2,1H3
InChIKeyAJQWPUCFIZALKH-UHFFFAOYSA-N
XLogP3.74
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpropan-1-amine
CID 103125767
N-methyl-2-(4-methylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126107
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105172203
2-ethoxy-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127669
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylheptan-1-amine
CID 103126570
[2-(4-fluoro-2-methylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]hydrazine
CID 103129981
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651
[2-(2-chlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]hydrazine
CID 103129443
[2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]hydrazine
CID 107312877
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
N-[(2-fluorophenyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103126487

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine (CID 103127872) is 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine is CNC(Cc1cccc(F)c1Br)c1cnn2ccccc12.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The InChIKey is AJQWPUCFIZALKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-19-14(9-11-5-4-6-13(18)16(11)17)12-10-20-21-8-3-2-7-15(12)21/h2-8,10,14,19H,9H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine has a molecular weight of 348.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine is sourced from PubChem (CID 103127872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).