[1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol

C23H33N7O2 — CID 11611915

About [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol

[1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol (PubChem CID 11611915) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol
• PubChem CID: 11611915
• Molecular Formula: C23H33N7O2
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.27
• IUPAC Name: [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol
• SMILES: CCOCCn1nc(CC)c2nc(N3CCC(CO)CC3)nc(Nc3cc(C)ccn3)c21
• InChI: InChI=1S/C23H33N7O2/c1-4-18-20-21(30(28-18)12-13-32-5-2)22(25-19-14-16(3)6-9-24-19)27-23(26-20)29-10-7-17(15-31)8-11-29/h6,9,14,17,31H,4-5,7-8,10-13,15H2,1-3H3,(H,24,25,26,27)
• InChIKey: YRVSFLWYKOXNHW-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	3.08
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-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol?

The IUPAC name of [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol (CID 11611915) is [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol.

What is the SMILES notation for [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol?

The canonical SMILES for [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol is CCOCCn1nc(CC)c2nc(N3CCC(CO)CC3)nc(Nc3cc(C)ccn3)c21.

What is the InChIKey of [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol?

The InChIKey is YRVSFLWYKOXNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-4-18-20-21(30(28-18)12-13-32-5-2)22(25-19-14-16(3)6-9-24-19)27-23(26-20)29-10-7-17(15-31)8-11-29/h6,9,14,17,31H,4-5,7-8,10-13,15H2,1-3H3,(H,24,25,26,27).

What are the key properties of [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol?

[1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol has a molecular weight of 439.56 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 11611915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).