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

C11H15N3OS — CID 115632462

IUPAC2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
SMILESCS(=O)CCNCc1cnn2ccccc12
InChIInChI=1S/C11H15N3OS/c1-16(15)7-5-12-8-10-9-13-14-6-3-2-4-11(10)14/h2-4,6,9,12H,5,7-8H2,1H3
InChIKeyNZGRSRNVDPNDEB-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.80
Rot. Bonds5

About 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine

2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 115632462) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
PubChem CID115632462
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
SMILESCS(=O)CCNCc1cnn2ccccc12
InChIInChI=1S/C11H15N3OS/c1-16(15)7-5-12-8-10-9-13-14-6-3-2-4-11(10)14/h2-4,6,9,12H,5,7-8H2,1H3
InChIKeyNZGRSRNVDPNDEB-UHFFFAOYSA-N
XLogP0.80
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)hexan-1-amine
CID 63311788
N-(2-methoxyethyl)-N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 103117705
3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 63311707
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine
CID 116642881
N',N'-diethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 63311956
2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63311880
N-(2-methoxyethyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 115614291
4-(2-methoxyethoxy)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)butan-1-amine
CID 115614347
2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 115757570
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 63965507

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine (CID 115632462) is 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine is CS(=O)CCNCc1cnn2ccccc12.
What is the InChIKey of 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is NZGRSRNVDPNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-16(15)7-5-12-8-10-9-13-14-6-3-2-4-11(10)14/h2-4,6,9,12H,5,7-8H2,1H3.
What are the key properties of 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine?
2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 237.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115632462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).