N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C103H108F10N38O11S3 — CID 158590687

About N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine

N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 158590687) has the molecular formula C103H108F10N38O11S3 and a molecular weight of 2340.43 g/mol. Its IUPAC name is N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 158590687
• Molecular Formula: C103H108F10N38O11S3
• Molecular Weight: 2340.43 g/mol
• Exact Mass: 2338.81
• IUPAC Name: N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• SMILES: CC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)CCN1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C5CC5)nn34)ncn2)CCO1.FC(F)c1ccc2ncc(-c3cc(N4CCOCC4)ncn3)n2n1.O=C(NCCO)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
• InChI: InChI=1S/C19H23N7O3S.C18H19F2N7O2.C18H20F2N6O2S.C17H16F2N6O.C16H16F2N6O2S.C15H14F2N6O/c1-30(27,28)23-9-14-11-25(6-7-29-14)19-8-16(21-12-22-19)17-10-20-18-5-4-15(13-2-3-13)24-26(17)18;19-17(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;1-29(27,28)7-6-25-5-4-12(10-25)14-8-15(23-11-22-14)16-9-21-17-3-2-13(18(19)20)24-26(16)17;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;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/h4-5,8,10,12-14,23H,2-3,6-7,9,11H2,1H3;1-2,7-8,10-11,17,28H,3-6,9H2,(H,21,29);2-3,8-9,11-12,18H,4-7,10H2,1H3;2-3,6-7,9,11,17H,4-5,8H2,1H3;2-3,6-7,9-10,16H,4-5,8H2,1H3;1-2,7-9,15H,3-6H2/t14-;;;;;/m1...../s1
• InChIKey: HUKFUKKHNXDLRF-NLQDPJAYSA-N
• XLogP: 10.68
• TPSA: 554.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2340.43
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 158590687) is N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;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)CCN1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C5CC5)nn34)ncn2)CCO1.FC(F)c1ccc2ncc(-c3cc(N4CCOCC4)ncn3)n2n1.O=C(NCCO)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.

What is the InChIKey of N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The InChIKey is HUKFUKKHNXDLRF-NLQDPJAYSA-N. The full InChI is InChI=1S/C19H23N7O3S.C18H19F2N7O2.C18H20F2N6O2S.C17H16F2N6O.C16H16F2N6O2S.C15H14F2N6O/c1-30(27,28)23-9-14-11-25(6-7-29-14)19-8-16(21-12-22-19)17-10-20-18-5-4-15(13-2-3-13)24-26(17)18;19-17(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;1-29(27,28)7-6-25-5-4-12(10-25)14-8-15(23-11-22-14)16-9-21-17-3-2-13(18(19)20)24-26(16)17;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;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/h4-5,8,10,12-14,23H,2-3,6-7,9,11H2,1H3;1-2,7-8,10-11,17,28H,3-6,9H2,(H,21,29);2-3,8-9,11-12,18H,4-7,10H2,1H3;2-3,6-7,9,11,17H,4-5,8H2,1H3;2-3,6-7,9-10,16H,4-5,8H2,1H3;1-2,7-9,15H,3-6H2/t14-;;;;;/m1...../s1.

What are the key properties of N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2340.43 g/mol, XLogP of 10.68, 27 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-[6-(6-cyclopropylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;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;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 158590687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).