N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine

C16H20N4S — CID 81153035

IUPACN-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccsc2c1)c1cnn(CC)c1
InChIInChI=1S/C16H20N4S/c1-3-6-17-16(13-10-19-20(4-2)11-13)12-8-15-14(18-9-12)5-7-21-15/h5,7-11,16-17H,3-4,6H2,1-2H3
InChIKeyXMMYVTVSYKLYMG-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.60
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine

N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine (PubChem CID 81153035) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
PubChem CID81153035
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccsc2c1)c1cnn(CC)c1
InChIInChI=1S/C16H20N4S/c1-3-6-17-16(13-10-19-20(4-2)11-13)12-8-15-14(18-9-12)5-7-21-15/h5,7-11,16-17H,3-4,6H2,1-2H3
InChIKeyXMMYVTVSYKLYMG-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115815713
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[(3-chloro-4-iodophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103214759
4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143135
N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807394
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine (CID 81153035) is N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine is CCCNC(c1cnc2ccsc2c1)c1cnn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The InChIKey is XMMYVTVSYKLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-6-17-16(13-10-19-20(4-2)11-13)12-8-15-14(18-9-12)5-7-21-15/h5,7-11,16-17H,3-4,6H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine is sourced from PubChem (CID 81153035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).