methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate

C21H18N4O3 — CID 10499639

About methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate

methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate (PubChem CID 10499639) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate.

Molecular Properties

• Compound Name: methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate
• PubChem CID: 10499639
• Molecular Formula: C21H18N4O3
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.14
• IUPAC Name: methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate
• SMILES: COC(=O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
• InChI: InChI=1S/C21H18N4O3/c1-28-19(27)12-14-25-18(26)11-10-16(22-25)20-17-9-5-6-13-24(17)23-21(20)15-7-3-2-4-8-15/h2-11,13H,12,14H2,1H3
• InChIKey: JGRZHRFMEOZXRA-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 78.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate?

The IUPAC name of methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate (CID 10499639) is methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate.

What is the SMILES notation for methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate?

The canonical SMILES for methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate is COC(=O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.

What is the InChIKey of methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate?

The InChIKey is JGRZHRFMEOZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-28-19(27)12-14-25-18(26)11-10-16(22-25)20-17-9-5-6-13-24(17)23-21(20)15-7-3-2-4-8-15/h2-11,13H,12,14H2,1H3.

What are the key properties of methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate?

methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate has a molecular weight of 374.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoate is sourced from PubChem (CID 10499639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).