5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H22N4O4 — CID 118795917

About 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118795917) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 118795917
• Molecular Formula: C18H22N4O4
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.16
• IUPAC Name: 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CNC(=O)c1n[nH]c2c1CN(C(=O)C(O)COc1ccccc1C)CC2
• InChI: InChI=1S/C18H22N4O4/c1-11-5-3-4-6-15(11)26-10-14(23)18(25)22-8-7-13-12(9-22)16(21-20-13)17(24)19-2/h3-6,14,23H,7-10H2,1-2H3,(H,19,24)(H,20,21)
• InChIKey: MELCVWLVRTUWOA-UHFFFAOYSA-N
• XLogP: 0.40
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 118795917) is 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1n[nH]c2c1CN(C(=O)C(O)COc1ccccc1C)CC2.

What is the InChIKey of 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is MELCVWLVRTUWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-5-3-4-6-15(11)26-10-14(23)18(25)22-8-7-13-12(9-22)16(21-20-13)17(24)19-2/h3-6,14,23H,7-10H2,1-2H3,(H,19,24)(H,20,21).

What are the key properties of 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118795917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).