5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C17H18F2N6O2 — CID 157032315

IUPAC5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC(F)(F)C1
InChIInChI=1S/C17H18F2N6O2/c1-16(2)7-17(18,19)9-24(8-16)12-5-11(23-25-4-3-20-13(12)25)10-6-21-15(27)22-14(10)26/h3-6H,7-9H2,1-2H3,(H2,21,22,26,27)
InChIKeyGPPBNHQNHZKZQK-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.64
Rot. Bonds2

About 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157032315) has the molecular formula C17H18F2N6O2 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157032315
Molecular FormulaC17H18F2N6O2
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC(F)(F)C1
InChIInChI=1S/C17H18F2N6O2/c1-16(2)7-17(18,19)9-24(8-16)12-5-11(23-25-4-3-20-13(12)25)10-6-21-15(27)22-14(10)26/h3-6H,7-9H2,1-2H3,(H2,21,22,26,27)
InChIKeyGPPBNHQNHZKZQK-UHFFFAOYSA-N
XLogP1.64
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157032315) is 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is CC1(C)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC(F)(F)C1.
What is the InChIKey of 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GPPBNHQNHZKZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O2/c1-16(2)7-17(18,19)9-24(8-16)12-5-11(23-25-4-3-20-13(12)25)10-6-21-15(27)22-14(10)26/h3-6H,7-9H2,1-2H3,(H2,21,22,26,27).
What are the key properties of 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 376.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157032315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).