2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine

C15H18N4OS — CID 79491759

IUPAC2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn(C)nc1-c1cnc2ccsc2c1
InChIInChI=1S/C15H18N4OS/c1-19-10-12(8-16-4-5-20-2)15(18-19)11-7-14-13(17-9-11)3-6-21-14/h3,6-7,9-10,16H,4-5,8H2,1-2H3
InChIKeyYTGKHEQTETYIHG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 79491759) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID79491759
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn(C)nc1-c1cnc2ccsc2c1
InChIInChI=1S/C15H18N4OS/c1-19-10-12(8-16-4-5-20-2)15(18-19)11-7-14-13(17-9-11)3-6-21-14/h3,6-7,9-10,16H,4-5,8H2,1-2H3
InChIKeyYTGKHEQTETYIHG-UHFFFAOYSA-N
XLogP2.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]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-[[3-(3-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79492167
3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
CID 115765551
1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine
CID 75506635
N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-2-(3-methylphenoxy)ethanamine
CID 119163929
N-[[3-(3-bromothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485373
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-[[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485212
1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765543
N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-3-pyridin-3-yloxypropan-1-amine
CID 42098862
N-[[3-(4-bromophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79484462
1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
CID 109396051
2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 79493289

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine (CID 79491759) is 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine is COCCNCc1cn(C)nc1-c1cnc2ccsc2c1.
What is the InChIKey of 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is YTGKHEQTETYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19-10-12(8-16-4-5-20-2)15(18-19)11-7-14-13(17-9-11)3-6-21-14/h3,6-7,9-10,16H,4-5,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methyl-3-thieno[3,2-b]pyridin-6-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79491759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).