5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline

C16H19N3O4 — CID 123333746

IUPAC5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline
SMILESCOCCOc1nc2[nH]ncc2c2c(OCCOC)cccc12
InChIInChI=1S/C16H19N3O4/c1-20-6-8-22-13-5-3-4-11-14(13)12-10-17-19-15(12)18-16(11)23-9-7-21-2/h3-5,10H,6-9H2,1-2H3,(H,17,18,19)
InChIKeyWLGXXGMMGPUNTB-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.16
Rot. Bonds8

About 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline

5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline (PubChem CID 123333746) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline
PubChem CID123333746
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline
SMILESCOCCOc1nc2[nH]ncc2c2c(OCCOC)cccc12
InChIInChI=1S/C16H19N3O4/c1-20-6-8-22-13-5-3-4-11-14(13)12-10-17-19-15(12)18-16(11)23-9-7-21-2/h3-5,10H,6-9H2,1-2H3,(H,17,18,19)
InChIKeyWLGXXGMMGPUNTB-UHFFFAOYSA-N
XLogP2.16
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline?
The IUPAC name of 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline (CID 123333746) is 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline is COCCOc1nc2[nH]ncc2c2c(OCCOC)cccc12.
What is the InChIKey of 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline?
The InChIKey is WLGXXGMMGPUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-20-6-8-22-13-5-3-4-11-14(13)12-10-17-19-15(12)18-16(11)23-9-7-21-2/h3-5,10H,6-9H2,1-2H3,(H,17,18,19).
What are the key properties of 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline?
5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline has a molecular weight of 317.35 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 123333746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).