1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

C24H36N8O — CID 46888597

About 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 46888597) has the molecular formula C24H36N8O and a molecular weight of 452.61 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
• PubChem CID: 46888597
• Molecular Formula: C24H36N8O
• Molecular Weight: 452.61 g/mol
• Exact Mass: 452.30
• IUPAC Name: 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
• SMILES: CCOCCn1nc(CC)c2nc(N(C)C3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21
• InChI: InChI=1S/C24H36N8O/c1-6-19-21-22(32(29-19)14-15-33-7-2)23(26-20-16-17(3)8-11-25-20)28-24(27-21)31(5)18-9-12-30(4)13-10-18/h8,11,16,18H,6-7,9-10,12-15H2,1-5H3,(H,25,26,27,28)
• InChIKey: HRRIBNWFHPLPLR-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.61
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
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 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 46888597) is 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is CCOCCn1nc(CC)c2nc(N(C)C3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21.

What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

The InChIKey is HRRIBNWFHPLPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O/c1-6-19-21-22(32(29-19)14-15-33-7-2)23(26-20-16-17(3)8-11-25-20)28-24(27-21)31(5)18-9-12-30(4)13-10-18/h8,11,16,18H,6-7,9-10,12-15H2,1-5H3,(H,25,26,27,28).

What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 452.61 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 46888597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).