2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid

C24H20N4O3 — CID 15522348

About 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid

2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid (PubChem CID 15522348) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid
• PubChem CID: 15522348
• Molecular Formula: C24H20N4O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.15
• IUPAC Name: 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid
• SMILES: O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCC1
• InChI: InChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31)
• InChIKey: UEVQEKTWOVYWOF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 89.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid (CID 15522348) is 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid.

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

The canonical SMILES for 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid is O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCC1.

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

The InChIKey is UEVQEKTWOVYWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31).

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

2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid has a molecular weight of 412.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid is sourced from PubChem (CID 15522348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).