5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

C22H28N6O4 — CID 154576321

About 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 154576321) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 154576321
• Molecular Formula: C22H28N6O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.22
• IUPAC Name: 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
• SMILES: Cn1c(=O)[nH]cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1=O
• InChI: InChI=1S/C22H28N6O4/c1-22(2,3)16-12-28-17(24-16)5-6-18(25-28)32-13-14-7-9-27(10-8-14)20(30)15-11-23-21(31)26(4)19(15)29/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,31)
• InChIKey: ZSMWOTNNRLOKGY-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 154576321) is 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1=O.

What is the InChIKey of 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is ZSMWOTNNRLOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-22(2,3)16-12-28-17(24-16)5-6-18(25-28)32-13-14-7-9-27(10-8-14)20(30)15-11-23-21(31)26(4)19(15)29/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,31).

What are the key properties of 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154576321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).