5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C19H22F2N6O2 — CID 171368800

IUPAC5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(N3CCC4(CCC(F)(F)CC4)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H22F2N6O2/c20-19(21)3-1-18(2-4-19)5-7-26(11-18)14-9-13(25-27-8-6-22-15(14)27)12-10-23-17(29)24-16(12)28/h6,8-9,12H,1-5,7,10-11H2,(H2,23,24,28,29)
InChIKeyMFIMMIRYIISDHQ-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.06
Rot. Bonds2

About 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368800) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368800
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC Name5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(N3CCC4(CCC(F)(F)CC4)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H22F2N6O2/c20-19(21)3-1-18(2-4-19)5-7-26(11-18)14-9-13(25-27-8-6-22-15(14)27)12-10-23-17(29)24-16(12)28/h6,8-9,12H,1-5,7,10-11H2,(H2,23,24,28,29)
InChIKeyMFIMMIRYIISDHQ-UHFFFAOYSA-N
XLogP2.06
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368800) is 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(N3CCC4(CCC(F)(F)CC4)C3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is MFIMMIRYIISDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c20-19(21)3-1-18(2-4-19)5-7-26(11-18)14-9-13(25-27-8-6-22-15(14)27)12-10-23-17(29)24-16(12)28/h6,8-9,12H,1-5,7,10-11H2,(H2,23,24,28,29).
What are the key properties of 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 404.42 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(8,8-difluoro-2-azaspiro[4.5]decan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).