6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole

C24H26F2N6O — CID 170340837

IUPAC6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3ccc4nc(N5CCC6(CCN(C)CC6)C5)oc4c3)cc(C(F)F)c2n1
InChIInChI=1S/C24H26F2N6O/c1-15-13-32-22(27-15)17(21(25)26)12-19(29-32)16-3-4-18-20(11-16)33-23(28-18)31-10-7-24(14-31)5-8-30(2)9-6-24/h3-4,11-13,21H,5-10,14H2,1-2H3
InChIKeySYOZXYPDEAHBJT-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.71
Rot. Bonds3

About 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole

6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole (PubChem CID 170340837) has the molecular formula C24H26F2N6O and a molecular weight of 452.51 g/mol. Its IUPAC name is 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole
PubChem CID170340837
Molecular FormulaC24H26F2N6O
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3ccc4nc(N5CCC6(CCN(C)CC6)C5)oc4c3)cc(C(F)F)c2n1
InChIInChI=1S/C24H26F2N6O/c1-15-13-32-22(27-15)17(21(25)26)12-19(29-32)16-3-4-18-20(11-16)33-23(28-18)31-10-7-24(14-31)5-8-30(2)9-6-24/h3-4,11-13,21H,5-10,14H2,1-2H3
InChIKeySYOZXYPDEAHBJT-UHFFFAOYSA-N
XLogP4.71
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole?
The IUPAC name of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole (CID 170340837) is 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole is Cc1cn2nc(-c3ccc4nc(N5CCC6(CCN(C)CC6)C5)oc4c3)cc(C(F)F)c2n1.
What is the InChIKey of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole?
The InChIKey is SYOZXYPDEAHBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O/c1-15-13-32-22(27-15)17(21(25)26)12-19(29-32)16-3-4-18-20(11-16)33-23(28-18)31-10-7-24(14-31)5-8-30(2)9-6-24/h3-4,11-13,21H,5-10,14H2,1-2H3.
What are the key properties of 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole?
6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole has a molecular weight of 452.51 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 170340837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).