4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole

C24H24F4N6O — CID 170594056

IUPAC4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)CC6)C5)oc4c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C24H24F4N6O/c1-14-12-34-21(29-14)16(24(26,27)28)11-18(31-34)15-9-17(25)20-19(10-15)35-22(30-20)33-8-5-23(13-33)3-6-32(2)7-4-23/h9-12H,3-8,13H2,1-2H3
InChIKeyODHAMJLSRCRNMX-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.93
Rot. Bonds2

About 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole

4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole (PubChem CID 170594056) has the molecular formula C24H24F4N6O and a molecular weight of 488.49 g/mol. Its IUPAC name is 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole
PubChem CID170594056
Molecular FormulaC24H24F4N6O
Molecular Weight488.49 g/mol
Exact Mass488.19
IUPAC Name4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)CC6)C5)oc4c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C24H24F4N6O/c1-14-12-34-21(29-14)16(24(26,27)28)11-18(31-34)15-9-17(25)20-19(10-15)35-22(30-20)33-8-5-23(13-33)3-6-32(2)7-4-23/h9-12H,3-8,13H2,1-2H3
InChIKeyODHAMJLSRCRNMX-UHFFFAOYSA-N
XLogP4.93
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole?
The IUPAC name of 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole (CID 170594056) is 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole is Cc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)CC6)C5)oc4c3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole?
The InChIKey is ODHAMJLSRCRNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O/c1-14-12-34-21(29-14)16(24(26,27)28)11-18(31-34)15-9-17(25)20-19(10-15)35-22(30-20)33-8-5-23(13-33)3-6-32(2)7-4-23/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole?
4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole has a molecular weight of 488.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazole is sourced from PubChem (CID 170594056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).