3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C23H33N7O5S — CID 135430955

About 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135430955) has the molecular formula C23H33N7O5S and a molecular weight of 519.63 g/mol. Its IUPAC name is 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• PubChem CID: 135430955
• Molecular Formula: C23H33N7O5S
• Molecular Weight: 519.63 g/mol
• Exact Mass: 519.23
• IUPAC Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• SMILES: CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@H](C)COC)[nH]c(=O)c2nn1C
• InChI: InChI=1S/C23H33N7O5S/c1-6-18-19-20(27-28(18)4)22(31)26-21(25-19)17-12-16(13-24-23(17)35-15(3)14-34-5)36(32,33)30-10-8-29(7-2)9-11-30/h12-13,15H,6-11,14H2,1-5H3,(H,25,26,31)/t15-/m1/s1
• InChIKey: WKISNFXGTYNPOO-OAHLLOKOSA-N
• XLogP: 1.02
• TPSA: 135.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.63
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135430955) is 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

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

The canonical SMILES for 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@H](C)COC)[nH]c(=O)c2nn1C.

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

The InChIKey is WKISNFXGTYNPOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H33N7O5S/c1-6-18-19-20(27-28(18)4)22(31)26-21(25-19)17-12-16(13-24-23(17)35-15(3)14-34-5)36(32,33)30-10-8-29(7-2)9-11-30/h12-13,15H,6-11,14H2,1-5H3,(H,25,26,31)/t15-/m1/s1.

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

3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 519.63 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135430955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).