6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one

C30H36N6O4 — CID 24804336

About 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one

6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one (PubChem CID 24804336) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

• Compound Name: 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one
• PubChem CID: 24804336
• Molecular Formula: C30H36N6O4
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.28
• IUPAC Name: 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one
• SMILES: CCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1
• InChI: InChI=1S/C30H36N6O4/c1-5-22-18-25-24(12-13-28(39-4)36(25)33-22)30-20(3)17-27(38)35(34-30)14-6-7-15-40-23-10-8-21(9-11-23)29-19(2)16-26(37)31-32-29/h8-13,18-20H,5-7,14-17H2,1-4H3,(H,31,37)
• InChIKey: JUGHBYPYWUSVFU-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 109.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?

The IUPAC name of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one (CID 24804336) is 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one.

What is the SMILES notation for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?

The canonical SMILES for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one is CCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1.

What is the InChIKey of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?

The InChIKey is JUGHBYPYWUSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O4/c1-5-22-18-25-24(12-13-28(39-4)36(25)33-22)30-20(3)17-27(38)35(34-30)14-6-7-15-40-23-10-8-21(9-11-23)29-19(2)16-26(37)31-32-29/h8-13,18-20H,5-7,14-17H2,1-4H3,(H,31,37).

What are the key properties of 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one?

6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one has a molecular weight of 544.66 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-5-methyl-2-[4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]butyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 24804336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).