4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide

C27H27N5O2 — CID 22629193

About 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide

4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide (PubChem CID 22629193) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide.

Molecular Properties

• Compound Name: 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide
• PubChem CID: 22629193
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide
• SMILES: NC(=O)CCCC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1
• InChI: InChI=1S/C27H27N5O2/c28-24(33)15-8-12-19-9-4-5-13-22(19)32-25(34)17-16-21(29-32)26-23-14-6-7-18-31(23)30-27(26)20-10-2-1-3-11-20/h1-3,6-7,10-11,14,16-18H,4-5,8-9,12-13,15H2,(H2,28,33)
• InChIKey: CUTICFMPIOGDGP-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 95.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide?

The IUPAC name of 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide (CID 22629193) is 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide.

What is the SMILES notation for 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide?

The canonical SMILES for 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide is NC(=O)CCCC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1.

What is the InChIKey of 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide?

The InChIKey is CUTICFMPIOGDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c28-24(33)15-8-12-19-9-4-5-13-22(19)32-25(34)17-16-21(29-32)26-23-14-6-7-18-31(23)30-27(26)20-10-2-1-3-11-20/h1-3,6-7,10-11,14,16-18H,4-5,8-9,12-13,15H2,(H2,28,33).

What are the key properties of 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide?

4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide has a molecular weight of 453.55 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexen-1-yl]butanamide is sourced from PubChem (CID 22629193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).