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

C17H12F2N6O3 — CID 157032791

IUPAC5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(OCC(F)(F)c3ccccn3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C17H12F2N6O3/c18-17(19,13-3-1-2-4-20-13)9-28-12-7-11(24-25-6-5-21-14(12)25)10-8-22-16(27)23-15(10)26/h1-8H,9H2,(H2,22,23,26,27)
InChIKeyMBPTUNCOFXZRFQ-UHFFFAOYSA-N
MW386.32 g/mol
LogP1.34
Rot. Bonds5

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

5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157032791) has the molecular formula C17H12F2N6O3 and a molecular weight of 386.32 g/mol. Its IUPAC name is 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157032791
Molecular FormulaC17H12F2N6O3
Molecular Weight386.32 g/mol
Exact Mass386.09
IUPAC Name5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(OCC(F)(F)c3ccccn3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C17H12F2N6O3/c18-17(19,13-3-1-2-4-20-13)9-28-12-7-11(24-25-6-5-21-14(12)25)10-8-22-16(27)23-15(10)26/h1-8H,9H2,(H2,22,23,26,27)
InChIKeyMBPTUNCOFXZRFQ-UHFFFAOYSA-N
XLogP1.34
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157032791) is 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(OCC(F)(F)c3ccccn3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MBPTUNCOFXZRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O3/c18-17(19,13-3-1-2-4-20-13)9-28-12-7-11(24-25-6-5-21-14(12)25)10-8-22-16(27)23-15(10)26/h1-8H,9H2,(H2,22,23,26,27).
What are the key properties of 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 386.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157032791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).