5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine

C16H15N5O2 — CID 138491334

IUPAC5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine
SMILESCOCCOc1cnn2ncc(-c3ccnc4[nH]ccc34)c2c1
InChIInChI=1S/C16H15N5O2/c1-22-6-7-23-11-8-15-14(10-20-21(15)19-9-11)12-2-4-17-16-13(12)3-5-18-16/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyXIQDZYPJMAGASL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.30
Rot. Bonds5

About 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine

5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine (PubChem CID 138491334) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine
PubChem CID138491334
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine
SMILESCOCCOc1cnn2ncc(-c3ccnc4[nH]ccc34)c2c1
InChIInChI=1S/C16H15N5O2/c1-22-6-7-23-11-8-15-14(10-20-21(15)19-9-11)12-2-4-17-16-13(12)3-5-18-16/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyXIQDZYPJMAGASL-UHFFFAOYSA-N
XLogP2.30
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.30
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-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine (CID 138491334) is 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine is COCCOc1cnn2ncc(-c3ccnc4[nH]ccc34)c2c1.
What is the InChIKey of 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
The InChIKey is XIQDZYPJMAGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-22-6-7-23-11-8-15-14(10-20-21(15)19-9-11)12-2-4-17-16-13(12)3-5-18-16/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine has a molecular weight of 309.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 138491334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).