N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

C100H108F15N39O9S3 — CID 160948846

About N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine

N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 160948846) has the molecular formula C100H108F15N39O9S3 and a molecular weight of 2381.40 g/mol. Its IUPAC name is N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 160948846
• Molecular Formula: C100H108F15N39O9S3
• Molecular Weight: 2381.40 g/mol
• Exact Mass: 2379.81
• IUPAC Name: N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
• SMILES: CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](C(F)(F)F)O1.C[C@@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.Cc1[nH]ncc1[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1.Cc1[nH]ncc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1
• InChI: InChI=1S/2C21H26F2N8O2S.2C20H19F3N8O.C18H18F5N7O3S/c2*1-13-17(11-27-34(2,32)33)30(14-3-4-14)8-7-29(13)20-9-16(25-12-26-20)18-10-24-19-6-5-15(21(22)23)28-31(18)19;2*1-11-8-30(9-16(32-11)13-6-27-28-12(13)2)19-5-14(25-10-26-19)15-7-24-18-4-3-17(20(21,22)23)29-31(15)18;1-34(31,32)27-5-10-7-29(8-14(33-10)18(21,22)23)16-4-12(25-9-26-16)13-6-24-15-3-2-11(17(19)20)28-30(13)15/h2*5-6,9-10,12-14,17,21,27H,3-4,7-8,11H2,1-2H3;2*3-7,10-11,16H,8-9H2,1-2H3,(H,27,28);2-4,6,9-10,14,17,27H,5,7-8H2,1H3/t2*13-,17-;2*11-,16-;10-,14-/m10101/s1
• InChIKey: SVMGTORHAGDERQ-GDQNHRPTSA-N
• XLogP: 11.64
• TPSA: 526.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.40
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine (CID 160948846) is N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](C(F)(F)F)O1.C[C@@H]1[C@@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@H](CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.Cc1[nH]ncc1[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@H](C)O1.Cc1[nH]ncc1[C@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C[C@@H](C)O1.

What is the InChIKey of N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?

The InChIKey is SVMGTORHAGDERQ-GDQNHRPTSA-N. The full InChI is InChI=1S/2C21H26F2N8O2S.2C20H19F3N8O.C18H18F5N7O3S/c2*1-13-17(11-27-34(2,32)33)30(14-3-4-14)8-7-29(13)20-9-16(25-12-26-20)18-10-24-19-6-5-15(21(22)23)28-31(18)19;2*1-11-8-30(9-16(32-11)13-6-27-28-12(13)2)19-5-14(25-10-26-19)15-7-24-18-4-3-17(20(21,22)23)29-31(15)18;1-34(31,32)27-5-10-7-29(8-14(33-10)18(21,22)23)16-4-12(25-9-26-16)13-6-24-15-3-2-11(17(19)20)28-30(13)15/h2*5-6,9-10,12-14,17,21,27H,3-4,7-8,11H2,1-2H3;2*3-7,10-11,16H,8-9H2,1-2H3,(H,27,28);2-4,6,9-10,14,17,27H,5,7-8H2,1H3/t2*13-,17-;2*11-,16-;10-,14-/m10101/s1.

What are the key properties of N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine?

N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 2381.40 g/mol, XLogP of 11.64, 26 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3R)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,3S)-1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide;(2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 160948846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).