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

C17H17F2N7O — CID 139359592

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

1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 139359592) has the molecular formula C17H17F2N7O and a molecular weight of 373.37 g/mol. Its IUPAC name is 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 139359592
• Molecular Formula: C17H17F2N7O
• Molecular Weight: 373.37 g/mol
• Exact Mass: 373.15
• IUPAC Name: 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: NC(=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
• InChI: InChI=1S/C17H17F2N7O/c18-16(19)11-3-4-14-21-7-13(26(14)24-11)12-6-15(23-9-22-12)25-5-1-2-10(8-25)17(20)27/h3-4,6-7,9-10,16H,1-2,5,8H2,(H2,20,27)
• InChIKey: CCOKCZSATKWXBW-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 102.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.37
LogP ≤ 5	1.83
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]piperidine-3-carboxamide?

The IUPAC name of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 139359592) is 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is NC(=O)C1CCCN(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]piperidine-3-carboxamide?

The InChIKey is CCOKCZSATKWXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O/c18-16(19)11-3-4-14-21-7-13(26(14)24-11)12-6-15(23-9-22-12)25-5-1-2-10(8-25)17(20)27/h3-4,6-7,9-10,16H,1-2,5,8H2,(H2,20,27).

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

1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 1.83, 4 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]piperidine-3-carboxamide is sourced from PubChem (CID 139359592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).