2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one

C23H23N5O2 — CID 19767620

IUPAC2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc(-c3cc4ccccn4n3)c2)nn1CCN1CCOCC1
InChIInChI=1S/C23H23N5O2/c29-23-8-7-21(24-28(23)11-10-26-12-14-30-15-13-26)18-4-3-5-19(16-18)22-17-20-6-1-2-9-27(20)25-22/h1-9,16-17H,10-15H2
InChIKeyBHJHKINKHJWYKV-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.56
Rot. Bonds5

About 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one

2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one (PubChem CID 19767620) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one
PubChem CID19767620
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc(-c3cc4ccccn4n3)c2)nn1CCN1CCOCC1
InChIInChI=1S/C23H23N5O2/c29-23-8-7-21(24-28(23)11-10-26-12-14-30-15-13-26)18-4-3-5-19(16-18)22-17-20-6-1-2-9-27(20)25-22/h1-9,16-17H,10-15H2
InChIKeyBHJHKINKHJWYKV-UHFFFAOYSA-N
XLogP2.56
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one (CID 19767620) is 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one is O=c1ccc(-c2cccc(-c3cc4ccccn4n3)c2)nn1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one?
The InChIKey is BHJHKINKHJWYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-23-8-7-21(24-28(23)11-10-26-12-14-30-15-13-26)18-4-3-5-19(16-18)22-17-20-6-1-2-9-27(20)25-22/h1-9,16-17H,10-15H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one?
2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one has a molecular weight of 401.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 19767620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).