8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane

C19H20F2N6O3S — CID 139357429

IUPAC8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CC2(CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ccn3)CCO2)C1
InChIInChI=1S/C19H20F2N6O3S/c1-31(28,29)26-11-19(12-26)10-25(6-7-30-19)17-8-13(4-5-22-17)15-9-23-16-3-2-14(18(20)21)24-27(15)16/h2-5,8-9,18H,6-7,10-12H2,1H3
InChIKeyDLYMFZCWWWFBKN-UHFFFAOYSA-N
MW450.47 g/mol
LogP1.58
Rot. Bonds4

About 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane

8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 139357429) has the molecular formula C19H20F2N6O3S and a molecular weight of 450.47 g/mol. Its IUPAC name is 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID139357429
Molecular FormulaC19H20F2N6O3S
Molecular Weight450.47 g/mol
Exact Mass450.13
IUPAC Name8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CC2(CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ccn3)CCO2)C1
InChIInChI=1S/C19H20F2N6O3S/c1-31(28,29)26-11-19(12-26)10-25(6-7-30-19)17-8-13(4-5-22-17)15-9-23-16-3-2-14(18(20)21)24-27(15)16/h2-5,8-9,18H,6-7,10-12H2,1H3
InChIKeyDLYMFZCWWWFBKN-UHFFFAOYSA-N
XLogP1.58
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 139359551
2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 139357609
3-[6-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl)pyrimidin-4-yl]-6-(difluoromethyl)imidazo[1,2-b]pyridazine;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]azetidine-3-sulfonamide;bis(6-(difluoromethyl)-3-[6-(1-methylsulfonylazepan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine)
CID 158652360
N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide
CID 139358146
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 153418464
N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-yl]methanesulfonamide
CID 139359326
4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine
CID 167663850
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide
CID 139359428
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylsulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 139359421
N-[[1-[2-cyano-5-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343578
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane (CID 139357429) is 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane is CS(=O)(=O)N1CC2(CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ccn3)CCO2)C1.
What is the InChIKey of 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is DLYMFZCWWWFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O3S/c1-31(28,29)26-11-19(12-26)10-25(6-7-30-19)17-8-13(4-5-22-17)15-9-23-16-3-2-14(18(20)21)24-27(15)16/h2-5,8-9,18H,6-7,10-12H2,1H3.
What are the key properties of 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane?
8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 450.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 139357429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).