4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine

C18H22F2N8O3S — CID 139359533

IUPAC4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine
SMILESCN(C)S(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1
InChIInChI=1S/C18H22F2N8O3S/c1-26(2)32(29,30)24-8-12-10-27(5-6-31-12)17-7-14(22-11-23-17)15-9-21-16-4-3-13(18(19)20)25-28(15)16/h3-4,7,9,11-12,18,24H,5-6,8,10H2,1-2H3
InChIKeyZHUWAAFDDJTGIX-UHFFFAOYSA-N
MW468.49 g/mol
LogP0.73
Rot. Bonds7

About 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine

4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine (PubChem CID 139359533) has the molecular formula C18H22F2N8O3S and a molecular weight of 468.49 g/mol. Its IUPAC name is 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine.

Molecular Properties

Compound Name4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine
PubChem CID139359533
Molecular FormulaC18H22F2N8O3S
Molecular Weight468.49 g/mol
Exact Mass468.15
IUPAC Name4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine
SMILESCN(C)S(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1
InChIInChI=1S/C18H22F2N8O3S/c1-26(2)32(29,30)24-8-12-10-27(5-6-31-12)17-7-14(22-11-23-17)15-9-21-16-4-3-13(18(19)20)25-28(15)16/h3-4,7,9,11-12,18,24H,5-6,8,10H2,1-2H3
InChIKeyZHUWAAFDDJTGIX-UHFFFAOYSA-N
XLogP0.73
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 153418464
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
CID 139359615
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;bis(N-[[4,4-difluoro-5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 158757826
N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343828
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide
CID 139357557
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpyrrolidin-3-yl]methyl]methanesulfonamide
CID 139358279
N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperidin-3-yl]methanesulfonamide
CID 139359326
1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]-N-methylsulfanylmethanamine
CID 139358386
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-isocyanopiperidin-3-yl]methyl]methanesulfonamide
CID 153418410
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide
CID 139359428

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine?
The IUPAC name of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine (CID 139359533) is 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine.
What is the SMILES notation for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine?
The canonical SMILES for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine is CN(C)S(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.
What is the InChIKey of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine?
The InChIKey is ZHUWAAFDDJTGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N8O3S/c1-26(2)32(29,30)24-8-12-10-27(5-6-31-12)17-7-14(22-11-23-17)15-9-21-16-4-3-13(18(19)20)25-28(15)16/h3-4,7,9,11-12,18,24H,5-6,8,10H2,1-2H3.
What are the key properties of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine?
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine has a molecular weight of 468.49 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-[(dimethylsulfamoylamino)methyl]morpholine is sourced from PubChem (CID 139359533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).