5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole

C₂₁H₁₅F₃N₆O₃ — CID 157032794

About 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole (PubChem CID 157032794) has the molecular formula C₂₁H₁₅F₃N₆O₃ and a molecular weight of 456.38 g/mol. Its IUPAC name is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole.

Molecular Properties

• Compound Name: 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole
• PubChem CID: 157032794
• Molecular Formula: C₂₁H₁₅F₃N₆O₃
• Molecular Weight: 456.38 g/mol
• Exact Mass: 456.12
• IUPAC Name: 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole
• SMILES: FC(F)(F)c1noc2ccccc12.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
• InChI: InChI=1S/C13H11N5O2.C8H4F3NO/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;9-8(10,11)7-5-3-1-2-4-6(5)13-12-7/h3-7H,1-2H2,(H2,15,16,19,20);1-4H
• InChIKey: IJBWRAQVIYYIGR-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 121.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole?

The IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole (CID 157032794) is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole.

What is the SMILES notation for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole?

The canonical SMILES for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole is FC(F)(F)c1noc2ccccc12.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.

What is the InChIKey of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole?

The InChIKey is IJBWRAQVIYYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C8H4F3NO/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;9-8(10,11)7-5-3-1-2-4-6(5)13-12-7/h3-7H,1-2H2,(H2,15,16,19,20);1-4H.

What are the key properties of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole?

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole has a molecular weight of 456.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 157032794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157032794 — identifiers, structure, computed properties (public domain)

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