2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine

C16H17BrN4 — CID 103128134

IUPAC2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine
SMILESCNC(Cc1cncc(Br)c1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H17BrN4/c1-18-14(8-11-7-12(17)10-19-9-11)16-13-5-3-4-6-15(13)21(2)20-16/h3-7,9-10,14,18H,8H2,1-2H3
InChIKeyFFRZHDDFECUNRL-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.23
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine

2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103128134) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103128134
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine
SMILESCNC(Cc1cncc(Br)c1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H17BrN4/c1-18-14(8-11-7-12(17)10-19-9-11)16-13-5-3-4-6-15(13)21(2)20-16/h3-7,9-10,14,18H,8H2,1-2H3
InChIKeyFFRZHDDFECUNRL-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103128359
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103128186

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine (CID 103128134) is 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine is CNC(Cc1cncc(Br)c1)c1nn(C)c2ccccc12.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is FFRZHDDFECUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-18-14(8-11-7-12(17)10-19-9-11)16-13-5-3-4-6-15(13)21(2)20-16/h3-7,9-10,14,18H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103128134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).