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

C17H25N3OS — CID 97382559

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

(7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97382559) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 97382559
• Molecular Formula: C17H25N3OS
• Molecular Weight: 319.47 g/mol
• Exact Mass: 319.17
• IUPAC Name: (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCOC[C@H]1CN(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/t15-/m1/s1
• InChIKey: PPPCHBIVKHXJGT-OAHLLOKOSA-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 (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97382559) is (7S)-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 (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(CC)nc21.

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

The InChIKey is PPPCHBIVKHXJGT-OAHLLOKOSA-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/t15-/m1/s1.

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

(7S)-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 (7S)-7-(ethoxymethyl)-2-ethyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97382559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).