1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide

C17H19F2N7O2S — CID 139359615

IUPAC1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C17H19F2N7O2S/c1-20-29(27,28)11-3-2-6-25(9-11)16-7-13(22-10-23-16)14-8-21-15-5-4-12(17(18)19)24-26(14)15/h4-5,7-8,10-11,17,20H,2-3,6,9H2,1H3
InChIKeyFYPAROMBRCZXCI-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.64
Rot. Bonds5

About 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide

1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide (PubChem CID 139359615) has the molecular formula C17H19F2N7O2S and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
PubChem CID139359615
Molecular FormulaC17H19F2N7O2S
Molecular Weight423.45 g/mol
Exact Mass423.13
IUPAC Name1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C17H19F2N7O2S/c1-20-29(27,28)11-3-2-6-25(9-11)16-7-13(22-10-23-16)14-8-21-15-5-4-12(17(18)19)24-26(14)15/h4-5,7-8,10-11,17,20H,2-3,6,9H2,1H3
InChIKeyFYPAROMBRCZXCI-UHFFFAOYSA-N
XLogP1.64
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide?
The IUPAC name of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide (CID 139359615) is 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide is CNS(=O)(=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]-N-methylpiperidine-3-sulfonamide?
The InChIKey is FYPAROMBRCZXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N7O2S/c1-20-29(27,28)11-3-2-6-25(9-11)16-7-13(22-10-23-16)14-8-21-15-5-4-12(17(18)19)24-26(14)15/h4-5,7-8,10-11,17,20H,2-3,6,9H2,1H3.
What are the key properties of 1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide?
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide has a molecular weight of 423.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 139359615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).