N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C92H93F13N32O8S2 — CID 157314364

About N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 157314364) has the molecular formula C92H93F13N32O8S2 and a molecular weight of 2086.08 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 157314364
• Molecular Formula: C92H93F13N32O8S2
• Molecular Weight: 2086.08 g/mol
• Exact Mass: 2084.71
• IUPAC Name: N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)CC1.CC1C(CNS(C)(=O)=O)CCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)CCO1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)c3)n2n1
• InChI: InChI=1S/C19H16F3N7O.C19H23F2N7O2S.C18H19F3N6O3S.C18H17F3N6O.C18H18F2N6O/c20-19(21,22)16-1-2-17-24-10-14(29(17)27-16)12-3-4-23-18(7-12)28-5-6-30-15(11-28)13-8-25-26-9-13;1-12-13(9-25-31(2,29)30)4-3-7-27(12)18-8-15(23-11-24-18)16-10-22-17-6-5-14(19(20)21)26-28(16)17;1-31(28,29)24-9-13-11-26(6-7-30-13)17-8-12(4-5-22-17)14-10-23-16-3-2-15(18(19,20)21)25-27(14)16;1-12(28)25-6-8-26(9-7-25)17-10-13(4-5-22-17)14-11-23-16-3-2-15(18(19,20)21)24-27(14)16;1-11(27)25-6-2-3-12(9-25)14-7-15(23-10-22-14)16-8-21-17-5-4-13(18(19)20)24-26(16)17/h1-4,7-10,15H,5-6,11H2,(H,25,26);5-6,8,10-13,19,25H,3-4,7,9H2,1-2H3;2-5,8,10,13,24H,6-7,9,11H2,1H3;2-5,10-11H,6-9H2,1H3;4-5,7-8,10,12,18H,2-3,6,9H2,1H3/t;;13-;;/m..1../s1
• InChIKey: BDKLHXOACCQRCG-VQHGBPRWSA-N
• XLogP: 12.28
• TPSA: 434.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.08
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 157314364) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)CC1.CC1C(CNS(C)(=O)=O)CCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)CCO1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)c3)n2n1.

What is the InChIKey of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is BDKLHXOACCQRCG-VQHGBPRWSA-N. The full InChI is InChI=1S/C19H16F3N7O.C19H23F2N7O2S.C18H19F3N6O3S.C18H17F3N6O.C18H18F2N6O/c20-19(21,22)16-1-2-17-24-10-14(29(17)27-16)12-3-4-23-18(7-12)28-5-6-30-15(11-28)13-8-25-26-9-13;1-12-13(9-25-31(2,29)30)4-3-7-27(12)18-8-15(23-11-24-18)16-10-22-17-6-5-14(19(20)21)26-28(16)17;1-31(28,29)24-9-13-11-26(6-7-30-13)17-8-12(4-5-22-17)14-10-23-16-3-2-15(18(19,20)21)25-27(14)16;1-12(28)25-6-8-26(9-7-25)17-10-13(4-5-22-17)14-11-23-16-3-2-15(18(19,20)21)24-27(14)16;1-11(27)25-6-2-3-12(9-25)14-7-15(23-10-22-14)16-8-21-17-5-4-13(18(19)20)24-26(16)17/h1-4,7-10,15H,5-6,11H2,(H,25,26);5-6,8,10-13,19,25H,3-4,7,9H2,1-2H3;2-5,8,10,13,24H,6-7,9,11H2,1H3;2-5,10-11H,6-9H2,1H3;4-5,7-8,10,12,18H,2-3,6,9H2,1H3/t;;13-;;/m..1../s1.

What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 2086.08 g/mol, XLogP of 12.28, 19 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157314364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).