N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

C111H129F10N43O13S3 — CID 157433337

About N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 157433337) has the molecular formula C111H129F10N43O13S3 and a molecular weight of 2559.72 g/mol. Its IUPAC name is N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
• PubChem CID: 157433337
• Molecular Formula: C111H129F10N43O13S3
• Molecular Weight: 2559.72 g/mol
• Exact Mass: 2557.98
• IUPAC Name: N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
• SMILES: CC(O)c1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.CC(O)c1ccc2ncc(-c3cc(N4C[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)C4)ncn3)n2n1.CC1C(CO)OCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CO)OCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CCN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C1CNS(C)(=O)=O.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5cncn5)C4)ncn3)n2n1
• InChI: InChI=1S/C20H26F2N8O2S.C20H25F2N7O3S.C19H19F2N9.C18H23N7O4S.2C17H18F2N6O2/c1-4-28-7-8-29(13(2)16(28)11-26-33(3,31)32)19-9-15(24-12-25-19)17-10-23-18-6-5-14(20(21)22)27-30(17)18;1-12-9-28(10-14(20(12,21)22)7-26-33(3,31)32)19-6-16(24-11-25-19)17-8-23-18-5-4-15(13(2)30)27-29(17)18;20-19(21)14-3-4-17-23-7-16(30(17)27-14)15-6-18(25-11-24-15)28-5-1-2-13(8-28)9-29-12-22-10-26-29;1-12(26)14-3-4-17-19-9-16(25(17)23-14)15-7-18(21-11-20-15)24-5-6-29-13(10-24)8-22-30(2,27)28;2*1-10-14(8-26)27-5-4-24(10)16-6-12(21-9-22-16)13-7-20-15-3-2-11(17(18)19)23-25(13)15/h5-6,9-10,12-13,16,20,26H,4,7-8,11H2,1-3H3;4-6,8,11-14,26,30H,7,9-10H2,1-3H3;3-4,6-7,10-13,19H,1-2,5,8-9H2;3-4,7,9,11-13,22,26H,5-6,8,10H2,1-2H3;2*2-3,6-7,9-10,14,17,26H,4-5,8H2,1H3/t;12-,13?,14+;;12?,13-;;/m.0.1../s1
• InChIKey: BQUOMDPGWUZYSN-LHVQBOJQSA-N
• XLogP: 9.11
• TPSA: 636.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.72
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 157433337) is N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is CC(O)c1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.CC(O)c1ccc2ncc(-c3cc(N4C[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)C4)ncn3)n2n1.CC1C(CO)OCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CO)OCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CCN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C1CNS(C)(=O)=O.FC(F)c1ccc2ncc(-c3cc(N4CCCC(Cn5cncn5)C4)ncn3)n2n1.

What is the InChIKey of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

The InChIKey is BQUOMDPGWUZYSN-LHVQBOJQSA-N. The full InChI is InChI=1S/C20H26F2N8O2S.C20H25F2N7O3S.C19H19F2N9.C18H23N7O4S.2C17H18F2N6O2/c1-4-28-7-8-29(13(2)16(28)11-26-33(3,31)32)19-9-15(24-12-25-19)17-10-23-18-6-5-14(20(21)22)27-30(17)18;1-12-9-28(10-14(20(12,21)22)7-26-33(3,31)32)19-6-16(24-11-25-19)17-8-23-18-5-4-15(13(2)30)27-29(17)18;20-19(21)14-3-4-17-23-7-16(30(17)27-14)15-6-18(25-11-24-15)28-5-1-2-13(8-28)9-29-12-22-10-26-29;1-12(26)14-3-4-17-19-9-16(25(17)23-14)15-7-18(21-11-20-15)24-5-6-29-13(10-24)8-22-30(2,27)28;2*1-10-14(8-26)27-5-4-24(10)16-6-12(21-9-22-16)13-7-20-15-3-2-11(17(18)19)23-25(13)15/h5-6,9-10,12-13,16,20,26H,4,7-8,11H2,1-3H3;4-6,8,11-14,26,30H,7,9-10H2,1-3H3;3-4,6-7,10-13,19H,1-2,5,8-9H2;3-4,7,9,11-13,22,26H,5-6,8,10H2,1-2H3;2*2-3,6-7,9-10,14,17,26H,4-5,8H2,1H3/t;12-,13?,14+;;12?,13-;;/m.0.1../s1.

What are the key properties of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 2559.72 g/mol, XLogP of 9.11, 32 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-ethyl-3-methylpiperazin-2-yl]methyl]methanesulfonamide;bis([4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholin-2-yl]methanol);6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 157433337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).