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

C16H23N3O2 — CID 131654634

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

7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 131654634) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 131654634
• Molecular Formula: C16H23N3O2
• Molecular Weight: 289.38 g/mol
• Exact Mass: 289.18
• IUPAC Name: 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCOCC1CN(Cc2ccc(C)o2)Cc2cn(C)nc21
• InChI: InChI=1S/C16H23N3O2/c1-4-20-11-14-9-19(10-15-6-5-12(2)21-15)8-13-7-18(3)17-16(13)14/h5-7,14H,4,8-11H2,1-3H3
• InChIKey: XGWUBDGUJNXORJ-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 43.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.38
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 131654634) is 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

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

The canonical SMILES for 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOCC1CN(Cc2ccc(C)o2)Cc2cn(C)nc21.

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

The InChIKey is XGWUBDGUJNXORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-20-11-14-9-19(10-15-6-5-12(2)21-15)8-13-7-18(3)17-16(13)14/h5-7,14H,4,8-11H2,1-3H3.

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

7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 289.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 131654634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).