1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine

C20H28N8O — CID 11574797

IUPAC1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21
InChIInChI=1S/C20H28N8O/c1-4-29-13-12-28-18-17(15(3)26-28)24-20(27-10-8-21-9-11-27)25-19(18)23-16-7-5-6-14(2)22-16/h5-7,21H,4,8-13H2,1-3H3,(H,22,23,24,25)
InChIKeyXCUNWJSUUNZLPM-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.03
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine

1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 11574797) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID11574797
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21
InChIInChI=1S/C20H28N8O/c1-4-29-13-12-28-18-17(15(3)26-28)24-20(27-10-8-21-9-11-27)25-19(18)23-16-7-5-6-14(2)22-16/h5-7,21H,4,8-13H2,1-3H3,(H,22,23,24,25)
InChIKeyXCUNWJSUUNZLPM-UHFFFAOYSA-N
XLogP2.03
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 11574797) is 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XCUNWJSUUNZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O/c1-4-29-13-12-28-18-17(15(3)26-28)24-20(27-10-8-21-9-11-27)25-19(18)23-16-7-5-6-14(2)22-16/h5-7,21H,4,8-13H2,1-3H3,(H,22,23,24,25).
What are the key properties of 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 396.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methyl-N-(6-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 11574797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).