1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine

C16H16BrN3 — CID 63311968

IUPAC1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cnn2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C16H16BrN3/c1-12(13-5-4-6-15(17)9-13)18-10-14-11-19-20-8-3-2-7-16(14)20/h2-9,11-12,18H,10H2,1H3
InChIKeyVHTNAMWDBSSOPO-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.95
Rot. Bonds4

About 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine

1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 63311968) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
PubChem CID63311968
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1cnn2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C16H16BrN3/c1-12(13-5-4-6-15(17)9-13)18-10-14-11-19-20-8-3-2-7-16(14)20/h2-9,11-12,18H,10H2,1H3
InChIKeyVHTNAMWDBSSOPO-UHFFFAOYSA-N
XLogP3.95
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)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

2-methyl-1-phenyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 63311752
(1R)-1-(2-chlorophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
CID 81376927
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
2-[[1-(3-bromophenyl)ethylamino]methyl]benzonitrile
CID 54896298
2-phenyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63315133
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792453
3-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311911
N,N-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 63311793
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine (CID 63311968) is 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine is CC(NCc1cnn2ccccc12)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is VHTNAMWDBSSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-12(13-5-4-6-15(17)9-13)18-10-14-11-19-20-8-3-2-7-16(14)20/h2-9,11-12,18H,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 330.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 63311968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).