2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol

C23H35N7O5S — CID 163596604

About 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol

2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol (PubChem CID 163596604) has the molecular formula C23H35N7O5S and a molecular weight of 521.64 g/mol. Its IUPAC name is 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol.

Molecular Properties

• Compound Name: 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol
• PubChem CID: 163596604
• Molecular Formula: C23H35N7O5S
• Molecular Weight: 521.64 g/mol
• Exact Mass: 521.24
• IUPAC Name: 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol
• SMILES: CCc1c2c(nn1CC)C(O)N=C(c1cc(S(=O)(=O)N3CCN(CC)CC3)cnc1OCCOC)N2
• InChI: InChI=1S/C23H35N7O5S/c1-5-18-19-20(27-30(18)7-3)22(31)26-21(25-19)17-14-16(15-24-23(17)35-13-12-34-4)36(32,33)29-10-8-28(6-2)9-11-29/h14-15,22,31H,5-13H2,1-4H3,(H,25,26)
• InChIKey: GTZIHJBCEMDOAE-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 134.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.64
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol?

The IUPAC name of 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol (CID 163596604) is 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol.

What is the SMILES notation for 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol?

The canonical SMILES for 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol is CCc1c2c(nn1CC)C(O)N=C(c1cc(S(=O)(=O)N3CCN(CC)CC3)cnc1OCCOC)N2.

What is the InChIKey of 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol?

The InChIKey is GTZIHJBCEMDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O5S/c1-5-18-19-20(27-30(18)7-3)22(31)26-21(25-19)17-14-16(15-24-23(17)35-13-12-34-4)36(32,33)29-10-8-28(6-2)9-11-29/h14-15,22,31H,5-13H2,1-4H3,(H,25,26).

What are the key properties of 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol?

2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol has a molecular weight of 521.64 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)-3-pyridinyl]-4,7-dihydropyrazolo[4,3-d]pyrimidin-7-ol is sourced from PubChem (CID 163596604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).