3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C82H79F10N31O7S — CID 157408932

IUPAC3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
SMILESCC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.FC(F)c1ccc2ncc(-c3cc(N4CC5(COC5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCOCC4)ncn3)n2n1.O=C(NCCO)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C18H19F2N7O2.C17H16F2N6O.C16H16F2N6O2S.C16H14F2N6O.C15H14F2N6O/c19-17(20)12-1-2-16-22-8-15(27(16)25-12)14-7-13(23-10-24-14)11-3-5-26(9-11)18(29)21-4-6-28;1-10(26)24-5-4-11(8-24)13-6-14(22-9-21-13)15-7-20-16-3-2-12(17(18)19)23-25(15)16;1-27(25,26)23-5-4-10(8-23)12-6-13(21-9-20-12)14-7-19-15-3-2-11(16(17)18)22-24(14)15;17-15(18)10-1-2-13-19-4-12(24(13)22-10)11-3-14(21-9-20-11)23-5-16(6-23)7-25-8-16;16-15(17)10-1-2-13-18-8-12(23(13)21-10)11-7-14(20-9-19-11)22-3-5-24-6-4-22/h1-2,7-8,10-11,17,28H,3-6,9H2,(H,21,29);2-3,6-7,9,11,17H,4-5,8H2,1H3;2-3,6-7,9-10,16H,4-5,8H2,1H3;1-4,9,15H,5-8H2;1-2,7-9,15H,3-6H2
InChIKeyBOAZLPOFORPCNK-UHFFFAOYSA-N
MW1832.79 g/mol
LogP9.87
Rot. Bonds18

About 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine

3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 157408932) has the molecular formula C82H79F10N31O7S and a molecular weight of 1832.79 g/mol. Its IUPAC name is 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
PubChem CID157408932
Molecular FormulaC82H79F10N31O7S
Molecular Weight1832.79 g/mol
Exact Mass1831.63
IUPAC Name3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
SMILESCC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.FC(F)c1ccc2ncc(-c3cc(N4CC5(COC5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCOCC4)ncn3)n2n1.O=C(NCCO)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C18H19F2N7O2.C17H16F2N6O.C16H16F2N6O2S.C16H14F2N6O.C15H14F2N6O/c19-17(20)12-1-2-16-22-8-15(27(16)25-12)14-7-13(23-10-24-14)11-3-5-26(9-11)18(29)21-4-6-28;1-10(26)24-5-4-11(8-24)13-6-14(22-9-21-13)15-7-20-16-3-2-12(17(18)19)23-25(15)16;1-27(25,26)23-5-4-10(8-23)12-6-13(21-9-20-12)14-7-19-15-3-2-11(16(17)18)22-24(14)15;17-15(18)10-1-2-13-19-4-12(24(13)22-10)11-3-14(21-9-20-11)23-5-16(6-23)7-25-8-16;16-15(17)10-1-2-13-18-8-12(23(13)21-10)11-7-14(20-9-19-11)22-3-5-24-6-4-22/h1-2,7-8,10-11,17,28H,3-6,9H2,(H,21,29);2-3,6-7,9,11,17H,4-5,8H2,1H3;2-3,6-7,9-10,16H,4-5,8H2,1H3;1-4,9,15H,5-8H2;1-2,7-9,15H,3-6H2
InChIKeyBOAZLPOFORPCNK-UHFFFAOYSA-N
XLogP9.87
TPSA415.05 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.79
LogP ≤ 59.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 157408932) is 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.FC(F)c1ccc2ncc(-c3cc(N4CC5(COC5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCOCC4)ncn3)n2n1.O=C(NCCO)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.
What is the InChIKey of 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is BOAZLPOFORPCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2.C17H16F2N6O.C16H16F2N6O2S.C16H14F2N6O.C15H14F2N6O/c19-17(20)12-1-2-16-22-8-15(27(16)25-12)14-7-13(23-10-24-14)11-3-5-26(9-11)18(29)21-4-6-28;1-10(26)24-5-4-11(8-24)13-6-14(22-9-21-13)15-7-20-16-3-2-12(17(18)19)23-25(15)16;1-27(25,26)23-5-4-10(8-23)12-6-13(21-9-20-12)14-7-19-15-3-2-11(16(17)18)22-24(14)15;17-15(18)10-1-2-13-19-4-12(24(13)22-10)11-3-14(21-9-20-11)23-5-16(6-23)7-25-8-16;16-15(17)10-1-2-13-18-8-12(23(13)21-10)11-7-14(20-9-19-11)22-3-5-24-6-4-22/h1-2,7-8,10-11,17,28H,3-6,9H2,(H,21,29);2-3,6-7,9,11,17H,4-5,8H2,1H3;2-3,6-7,9-10,16H,4-5,8H2,1H3;1-4,9,15H,5-8H2;1-2,7-9,15H,3-6H2.
What are the key properties of 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 1832.79 g/mol, XLogP of 9.87, 18 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157408932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).