4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine

C20H24F2N6O3S — CID 167663850

IUPAC4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine
SMILESCNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCO[C@H](CCS(C)(=O)=O)C2)n1
InChIInChI=1S/C20H24F2N6O3S/c1-23-17-9-13(16-11-24-18-4-3-15(20(21)22)26-28(16)18)10-19(25-17)27-6-7-31-14(12-27)5-8-32(2,29)30/h3-4,9-11,14,20H,5-8,12H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeySIRJQHADHRZKIF-CQSZACIVSA-N
MW466.51 g/mol
LogP2.41
Rot. Bonds7

About 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine

4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine (PubChem CID 167663850) has the molecular formula C20H24F2N6O3S and a molecular weight of 466.51 g/mol. Its IUPAC name is 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine
PubChem CID167663850
Molecular FormulaC20H24F2N6O3S
Molecular Weight466.51 g/mol
Exact Mass466.16
IUPAC Name4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine
SMILESCNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCO[C@H](CCS(C)(=O)=O)C2)n1
InChIInChI=1S/C20H24F2N6O3S/c1-23-17-9-13(16-11-24-18-4-3-15(20(21)22)26-28(16)18)10-19(25-17)27-6-7-31-14(12-27)5-8-32(2,29)30/h3-4,9-11,14,20H,5-8,12H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeySIRJQHADHRZKIF-CQSZACIVSA-N
XLogP2.41
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine?
The IUPAC name of 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) is 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine is CNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCO[C@H](CCS(C)(=O)=O)C2)n1.
What is the InChIKey of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine?
The InChIKey is SIRJQHADHRZKIF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24F2N6O3S/c1-23-17-9-13(16-11-24-18-4-3-15(20(21)22)26-28(16)18)10-19(25-17)27-6-7-31-14(12-27)5-8-32(2,29)30/h3-4,9-11,14,20H,5-8,12H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine?
4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine has a molecular weight of 466.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine is sourced from PubChem (CID 167663850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).