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

C17H25N3OS — CID 131655593

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

7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 131655593) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 131655593
• Molecular Formula: C17H25N3OS
• Molecular Weight: 319.47 g/mol
• Exact Mass: 319.17
• IUPAC Name: 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCOCC1CN(Cc2ccc(C)s2)Cc2cn(CC)nc21
• InChI: InChI=1S/C17H25N3OS/c1-4-20-10-14-8-19(11-16-7-6-13(3)22-16)9-15(12-21-5-2)17(14)18-20/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3
• InChIKey: PPPCHBIVKHXJGT-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 30.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.47
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 131655593) is 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOCC1CN(Cc2ccc(C)s2)Cc2cn(CC)nc21.

What is the InChIKey of 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is PPPCHBIVKHXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-4-20-10-14-8-19(11-16-7-6-13(3)22-16)9-15(12-21-5-2)17(14)18-20/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3.

What are the key properties of 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 319.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 131655593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).