3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride

C23H38Cl2N8O2 — CID 174483202

About 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride

3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride (PubChem CID 174483202) has the molecular formula C23H38Cl2N8O2 and a molecular weight of 529.52 g/mol. Its IUPAC name is 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride.

Molecular Properties

• Compound Name: 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride
• PubChem CID: 174483202
• Molecular Formula: C23H38Cl2N8O2
• Molecular Weight: 529.52 g/mol
• Exact Mass: 528.25
• IUPAC Name: 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride
• SMILES: CCOCCN1c2c(Nc3cc(C)ccn3)nc(N3CCN[C@H](C)C3)nc2C(OCC)N1C.Cl.Cl
• InChI: InChI=1S/C23H36N8O2.2ClH/c1-6-32-13-12-31-20-19(22(29(31)5)33-7-2)27-23(30-11-10-24-17(4)15-30)28-21(20)26-18-14-16(3)8-9-25-18;;/h8-9,14,17,22,24H,6-7,10-13,15H2,1-5H3,(H,25,26,27,28);2*1H/t17-,22?;;/m1../s1
• InChIKey: RPZGTJJXOSJOOC-CLGJYPHUSA-N
• XLogP: 3.30
• TPSA: 90.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride?

The IUPAC name of 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride (CID 174483202) is 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride.

What is the SMILES notation for 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride?

The canonical SMILES for 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride is CCOCCN1c2c(Nc3cc(C)ccn3)nc(N3CCN[C@H](C)C3)nc2C(OCC)N1C.Cl.Cl.

What is the InChIKey of 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride?

The InChIKey is RPZGTJJXOSJOOC-CLGJYPHUSA-N. The full InChI is InChI=1S/C23H36N8O2.2ClH/c1-6-32-13-12-31-20-19(22(29(31)5)33-7-2)27-23(30-11-10-24-17(4)15-30)28-21(20)26-18-14-16(3)8-9-25-18;;/h8-9,14,17,22,24H,6-7,10-13,15H2,1-5H3,(H,25,26,27,28);2*1H/t17-,22?;;/m1../s1.

What are the key properties of 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride?

3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride has a molecular weight of 529.52 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride is sourced from PubChem (CID 174483202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).