N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C20H20N4S — CID 75382869

IUPACN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1
InChIInChI=1S/C20H20N4S/c1-15(18-11-20-19(22-13-18)6-9-25-20)21-12-16-4-2-5-17(10-16)14-24-8-3-7-23-24/h2-11,13,15,21H,12,14H2,1H3
InChIKeyHKQJDDQAEJYEPF-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.39
Rot. Bonds6

About N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 75382869) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID75382869
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC NameN-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1
InChIInChI=1S/C20H20N4S/c1-15(18-11-20-19(22-13-18)6-9-25-20)21-12-16-4-2-5-17(10-16)14-24-8-3-7-23-24/h2-11,13,15,21H,12,14H2,1H3
InChIKeyHKQJDDQAEJYEPF-UHFFFAOYSA-N
XLogP4.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
N-cyclopropyl-4-(6-(thiophen-2-yl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10286648
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
US10377753, Example 130
CID 124175977
US11608337, Example 40
CID 132085886
US11168093, Example 105
CID 147380397
US11168093, Example 1
CID 149559960
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532377
N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-pyrazol-1-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76332494
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155528043
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155539034

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 75382869) is N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(NCc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1.
What is the InChIKey of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is HKQJDDQAEJYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-15(18-11-20-19(22-13-18)6-9-25-20)21-12-16-4-2-5-17(10-16)14-24-8-3-7-23-24/h2-11,13,15,21H,12,14H2,1H3.
What are the key properties of N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 348.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 75382869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).