5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one

C17H17N3O2 — CID 19700923

IUPAC5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one
SMILESCOc1ccc(-c2nn(C(C)C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)20-17(21)16-14(5-4-10-18-16)15(19-20)12-6-8-13(22-3)9-7-12/h4-11H,1-3H3
InChIKeySRTFCKJAZYGBOO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.05
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one

5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one (PubChem CID 19700923) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one
PubChem CID19700923
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one
SMILESCOc1ccc(-c2nn(C(C)C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)20-17(21)16-14(5-4-10-18-16)15(19-20)12-6-8-13(22-3)9-7-12/h4-11H,1-3H3
InChIKeySRTFCKJAZYGBOO-UHFFFAOYSA-N
XLogP3.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one (CID 19700923) is 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one is COc1ccc(-c2nn(C(C)C)c(=O)c3ncccc23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one?
The InChIKey is SRTFCKJAZYGBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)20-17(21)16-14(5-4-10-18-16)15(19-20)12-6-8-13(22-3)9-7-12/h4-11H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one?
5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one has a molecular weight of 295.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 19700923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).