3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine

C18H19F2N7 — CID 139357686

About 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine

3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 139357686) has the molecular formula C18H19F2N7 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine
• PubChem CID: 139357686
• Molecular Formula: C18H19F2N7
• Molecular Weight: 371.40 g/mol
• Exact Mass: 371.17
• IUPAC Name: 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine
• SMILES: FC(F)c1ccc2ncc(-c3cc(N4CCCC5(CNC5)C4)ncn3)n2n1
• InChI: InChI=1S/C18H19F2N7/c19-17(20)12-2-3-15-22-7-14(27(15)25-12)13-6-16(24-11-23-13)26-5-1-4-18(10-26)8-21-9-18/h2-3,6-7,11,17,21H,1,4-5,8-10H2
• InChIKey: VDZBEDHSKVYIGU-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 71.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.40
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine?

The IUPAC name of 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine (CID 139357686) is 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine is FC(F)c1ccc2ncc(-c3cc(N4CCCC5(CNC5)C4)ncn3)n2n1.

What is the InChIKey of 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine?

The InChIKey is VDZBEDHSKVYIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7/c19-17(20)12-2-3-15-22-7-14(27(15)25-12)13-6-16(24-11-23-13)26-5-1-4-18(10-26)8-21-9-18/h2-3,6-7,11,17,21H,1,4-5,8-10H2.

What are the key properties of 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine?

3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 371.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 139357686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).