4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine

C20H29N9O2 — CID 20785528

About 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine

4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 20785528) has the molecular formula C20H29N9O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 20785528
• Molecular Formula: C20H29N9O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.24
• IUPAC Name: 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: COCCOc1ccc(N2CCN(CCn3ncc4c(NN)nc(N)nc43)CC2)cc1
• InChI: InChI=1S/C20H29N9O2/c1-30-12-13-31-16-4-2-15(3-5-16)28-9-6-27(7-10-28)8-11-29-19-17(14-23-29)18(26-22)24-20(21)25-19/h2-5,14H,6-13,22H2,1H3,(H3,21,24,25,26)
• InChIKey: SJOIDOBDTDZNDT-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 132.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 20785528) is 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine is COCCOc1ccc(N2CCN(CCn3ncc4c(NN)nc(N)nc43)CC2)cc1.

What is the InChIKey of 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is SJOIDOBDTDZNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N9O2/c1-30-12-13-31-16-4-2-15(3-5-16)28-9-6-27(7-10-28)8-11-29-19-17(14-23-29)18(26-22)24-20(21)25-19/h2-5,14H,6-13,22H2,1H3,(H3,21,24,25,26).

What are the key properties of 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine?

4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 427.51 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 20785528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).