N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide

C24H34N4O7S — CID 59868474

About N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide (PubChem CID 59868474) has the molecular formula C24H34N4O7S and a molecular weight of 522.62 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
• PubChem CID: 59868474
• Molecular Formula: C24H34N4O7S
• Molecular Weight: 522.62 g/mol
• Exact Mass: 522.21
• IUPAC Name: N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide
• SMILES: CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)CCOCCO)ccc3OC)cc12
• InChI: InChI=1S/C24H34N4O7S/c1-4-6-20-19-16-21(25-24(31)23(19)27(2)26-20)18-15-17(7-8-22(18)34-3)36(32,33)28(9-5-11-29)10-13-35-14-12-30/h7-8,15-16,29-30H,4-6,9-14H2,1-3H3,(H,25,31)
• InChIKey: RKBSXPFQFCBJHC-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 146.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.62
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?

The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide (CID 59868474) is N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide.

What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?

The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)CCOCCO)ccc3OC)cc12.

What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?

The InChIKey is RKBSXPFQFCBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7S/c1-4-6-20-19-16-21(25-24(31)23(19)27(2)26-20)18-15-17(7-8-22(18)34-3)36(32,33)28(9-5-11-29)10-13-35-14-12-30/h7-8,15-16,29-30H,4-6,9-14H2,1-3H3,(H,25,31).

What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide?

N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide has a molecular weight of 522.62 g/mol, XLogP of 1.27, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-hydroxyethoxy)ethyl]-N-(3-hydroxypropyl)-4-methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 59868474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).