5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C26H35N9O4S — CID 135810290

About 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135810290) has the molecular formula C26H35N9O4S and a molecular weight of 569.69 g/mol. Its IUPAC name is 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• PubChem CID: 135810290
• Molecular Formula: C26H35N9O4S
• Molecular Weight: 569.69 g/mol
• Exact Mass: 569.25
• IUPAC Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• SMILES: CCCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCC)[nH]c(=O)c2nn1Cc1nccn1C
• InChI: InChI=1S/C26H35N9O4S/c1-5-8-20-22-23(31-35(20)17-21-27-9-10-32(21)4)25(36)30-24(29-22)19-15-18(16-28-26(19)39-7-3)40(37,38)34-13-11-33(6-2)12-14-34/h9-10,15-16H,5-8,11-14,17H2,1-4H3,(H,29,30,36)
• InChIKey: FXSAWEVVOFSWBP-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 144.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.69
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The IUPAC name of 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135810290) is 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

What is the SMILES notation for 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The canonical SMILES for 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCC)[nH]c(=O)c2nn1Cc1nccn1C.

What is the InChIKey of 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

The InChIKey is FXSAWEVVOFSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N9O4S/c1-5-8-20-22-23(31-35(20)17-21-27-9-10-32(21)4)25(36)30-24(29-22)19-15-18(16-28-26(19)39-7-3)40(37,38)34-13-11-33(6-2)12-14-34/h9-10,15-16H,5-8,11-14,17H2,1-4H3,(H,29,30,36).

What are the key properties of 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?

5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 569.69 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135810290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).