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

C22H32N8O — CID 46888631

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

1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 46888631) has the molecular formula C22H32N8O and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine
• PubChem CID: 46888631
• Molecular Formula: C22H32N8O
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.27
• IUPAC Name: 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine
• SMILES: CCOCCn1nc(CC)c2nc(N(C)C3CCNC3)nc(Nc3cc(C)ccn3)c21
• InChI: InChI=1S/C22H32N8O/c1-5-17-19-20(30(28-17)11-12-31-6-2)21(25-18-13-15(3)7-10-24-18)27-22(26-19)29(4)16-8-9-23-14-16/h7,10,13,16,23H,5-6,8-9,11-12,14H2,1-4H3,(H,24,25,26,27)
• InChIKey: FDZWPMLGNKIMOL-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 93.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
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-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine?

The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 46888631) is 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine.

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

The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine is CCOCCn1nc(CC)c2nc(N(C)C3CCNC3)nc(Nc3cc(C)ccn3)c21.

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

The InChIKey is FDZWPMLGNKIMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O/c1-5-17-19-20(30(28-17)11-12-31-6-2)21(25-18-13-15(3)7-10-24-18)27-22(26-19)29(4)16-8-9-23-14-16/h7,10,13,16,23H,5-6,8-9,11-12,14H2,1-4H3,(H,24,25,26,27).

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

1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 424.55 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 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-7-N-(4-methyl-2-pyridinyl)-5-N-pyrrolidin-3-ylpyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 46888631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).