2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole

C15H22N4OS — CID 131656306

IUPAC2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCCOCC1CN(Cc2nccs2)Cc2cn(CC)nc21
InChIInChI=1S/C15H22N4OS/c1-3-19-9-12-7-18(10-14-16-5-6-21-14)8-13(11-20-4-2)15(12)17-19/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyJOOLDEHIQBOVMB-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.50
Rot. Bonds6

About 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole

2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole (PubChem CID 131656306) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
PubChem CID131656306
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCCOCC1CN(Cc2nccs2)Cc2cn(CC)nc21
InChIInChI=1S/C15H22N4OS/c1-3-19-9-12-7-18(10-14-16-5-6-21-14)8-13(11-20-4-2)15(12)17-19/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyJOOLDEHIQBOVMB-UHFFFAOYSA-N
XLogP2.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole (CID 131656306) is 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole is CCOCC1CN(Cc2nccs2)Cc2cn(CC)nc21.
What is the InChIKey of 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The InChIKey is JOOLDEHIQBOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-19-9-12-7-18(10-14-16-5-6-21-14)8-13(11-20-4-2)15(12)17-19/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole has a molecular weight of 306.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131656306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).