N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide

C19H23F2N7O3S — CID 139359438

IUPACN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide
SMILESCC1(C)COC(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
InChIInChI=1S/C19H23F2N7O3S/c1-19(2)10-31-12(7-25-32(3,29)30)9-27(19)17-6-14(23-11-24-17)15-8-22-16-5-4-13(18(20)21)26-28(15)16/h4-6,8,11-12,18,25H,7,9-10H2,1-3H3
InChIKeyMLACVLBPOFKFOW-UHFFFAOYSA-N
MW467.50 g/mol
LogP1.66
Rot. Bonds6

About N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide

N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide (PubChem CID 139359438) has the molecular formula C19H23F2N7O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide
PubChem CID139359438
Molecular FormulaC19H23F2N7O3S
Molecular Weight467.50 g/mol
Exact Mass467.16
IUPAC NameN-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide
SMILESCC1(C)COC(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
InChIInChI=1S/C19H23F2N7O3S/c1-19(2)10-31-12(7-25-32(3,29)30)9-27(19)17-6-14(23-11-24-17)15-8-22-16-5-4-13(18(20)21)26-28(15)16/h4-6,8,11-12,18,25H,7,9-10H2,1-3H3
InChIKeyMLACVLBPOFKFOW-UHFFFAOYSA-N
XLogP1.66
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide (CID 139359438) is N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide is CC1(C)COC(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.
What is the InChIKey of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is MLACVLBPOFKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O3S/c1-19(2)10-31-12(7-25-32(3,29)30)9-27(19)17-6-14(23-11-24-17)15-8-22-16-5-4-13(18(20)21)26-28(15)16/h4-6,8,11-12,18,25H,7,9-10H2,1-3H3.
What are the key properties of N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide?
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 467.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139359438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).