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

C20H29N9O2 — CID 20785528

IUPAC4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOCCOc1ccc(N2CCN(CCn3ncc4c(NN)nc(N)nc43)CC2)cc1
InChIInChI=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)
InChIKeySJOIDOBDTDZNDT-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.54
Rot. Bonds9

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 Name4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID20785528
Molecular FormulaC20H29N9O2
Molecular Weight427.51 g/mol
Exact Mass427.24
IUPAC Name4-hydrazinyl-1-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOCCOc1ccc(N2CCN(CCn3ncc4c(NN)nc(N)nc43)CC2)cc1
InChIInChI=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)
InChIKeySJOIDOBDTDZNDT-UHFFFAOYSA-N
XLogP0.54
TPSA132.61 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).