2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C21H28N4O4 — CID 143962684

About 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 143962684) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

• Compound Name: 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
• PubChem CID: 143962684
• Molecular Formula: C21H28N4O4
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.21
• IUPAC Name: 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
• SMILES: COCCN(C)CCn1[nH]c2cc(=O)n(Cc3cccc(OC)c3)c(C)c2c1=O
• InChI: InChI=1S/C21H28N4O4/c1-15-20-18(22-25(21(20)27)9-8-23(2)10-11-28-3)13-19(26)24(15)14-16-6-5-7-17(12-16)29-4/h5-7,12-13,22H,8-11,14H2,1-4H3
• InChIKey: SNZHAMMSBAFVRY-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 81.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 143962684) is 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

What is the SMILES notation for 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The canonical SMILES for 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is COCCN(C)CCn1[nH]c2cc(=O)n(Cc3cccc(OC)c3)c(C)c2c1=O.

What is the InChIKey of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The InChIKey is SNZHAMMSBAFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-15-20-18(22-25(21(20)27)9-8-23(2)10-11-28-3)13-19(26)24(15)14-16-6-5-7-17(12-16)29-4/h5-7,12-13,22H,8-11,14H2,1-4H3.

What are the key properties of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 400.48 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-[(3-methoxyphenyl)methyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 143962684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).