1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine

C17H19F2N7 — CID 139358249

About 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine

1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine (PubChem CID 139358249) has the molecular formula C17H19F2N7 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine
• PubChem CID: 139358249
• Molecular Formula: C17H19F2N7
• Molecular Weight: 359.38 g/mol
• Exact Mass: 359.17
• IUPAC Name: 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine
• SMILES: CC1(N)CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
• InChI: InChI=1S/C17H19F2N7/c1-17(20)5-2-6-25(9-17)15-7-12(22-10-23-15)13-8-21-14-4-3-11(16(18)19)24-26(13)14/h3-4,7-8,10,16H,2,5-6,9,20H2,1H3
• InChIKey: PAYMKMVRLOFNOM-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 85.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.38
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine?

The IUPAC name of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine (CID 139358249) is 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine.

What is the SMILES notation for 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine?

The canonical SMILES for 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine is CC1(N)CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.

What is the InChIKey of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine?

The InChIKey is PAYMKMVRLOFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N7/c1-17(20)5-2-6-25(9-17)15-7-12(22-10-23-15)13-8-21-14-4-3-11(16(18)19)24-26(13)14/h3-4,7-8,10,16H,2,5-6,9,20H2,1H3.

What are the key properties of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine?

1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine has a molecular weight of 359.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-amine is sourced from PubChem (CID 139358249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).