N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

C94H107F12N35O10S4 — CID 161271574

About N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 161271574) has the molecular formula C94H107F12N35O10S4 and a molecular weight of 2243.37 g/mol. Its IUPAC name is N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
• PubChem CID: 161271574
• Molecular Formula: C94H107F12N35O10S4
• Molecular Weight: 2243.37 g/mol
• Exact Mass: 2241.76
• IUPAC Name: N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
• SMILES: CC(=O)N1CCN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)CC1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(OC3CNC3)n2)C1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)C1.C[C@@H]1C[C@H](NS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1CC(F)(F)[C@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
• InChI: InChI=1S/C22H27F2N7O3S.C19H21F4N7O2S.2C18H21F2N7O2S.C17H17F2N7O/c1-35(32,33)27-9-14-3-2-6-30(13-14)20-7-15(8-21(28-20)34-16-10-25-11-16)18-12-26-19-5-4-17(22(23)24)29-31(18)19;1-11-6-19(22,23)12(7-27-33(2,31)32)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;1-11-5-12(25-30(2,28)29)9-26(8-11)17-6-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)24-27(15)16;1-30(28,29)24-8-12-3-2-5-26(10-12)16-7-15(21-11-22-16)13-9-23-27-6-4-14(17(19)20)25-18(13)27;1-11(27)24-4-6-25(7-5-24)15-8-14(20-10-21-15)12-9-22-26-3-2-13(16(18)19)23-17(12)26/h4-5,7-8,12,14,16,22,25,27H,2-3,6,9-11,13H2,1H3;3-5,8,10-12,18,27H,6-7,9H2,1-2H3;3-4,6-7,10-12,18,25H,5,8-9H2,1-2H3;4,6-7,9,11-12,17,24H,2-3,5,8,10H2,1H3;2-3,8-10,16H,4-7H2,1H3/t;2*11-,12+;;/m.01../s1
• InChIKey: VDWSFQQZTZIRPU-OVEQSLKFSA-N
• XLogP: 9.94
• TPSA: 509.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.37
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 161271574) is N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is CC(=O)N1CCN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)CC1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(OC3CNC3)n2)C1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)C1.C[C@@H]1C[C@H](NS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1CC(F)(F)[C@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.

What is the InChIKey of N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The InChIKey is VDWSFQQZTZIRPU-OVEQSLKFSA-N. The full InChI is InChI=1S/C22H27F2N7O3S.C19H21F4N7O2S.2C18H21F2N7O2S.C17H17F2N7O/c1-35(32,33)27-9-14-3-2-6-30(13-14)20-7-15(8-21(28-20)34-16-10-25-11-16)18-12-26-19-5-4-17(22(23)24)29-31(18)19;1-11-6-19(22,23)12(7-27-33(2,31)32)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;1-11-5-12(25-30(2,28)29)9-26(8-11)17-6-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)24-27(15)16;1-30(28,29)24-8-12-3-2-5-26(10-12)16-7-15(21-11-22-16)13-9-23-27-6-4-14(17(19)20)25-18(13)27;1-11(27)24-4-6-25(7-5-24)15-8-14(20-10-21-15)12-9-22-26-3-2-13(16(18)19)23-17(12)26/h4-5,7-8,12,14,16,22,25,27H,2-3,6,9-11,13H2,1H3;3-5,8,10-12,18,27H,6-7,9H2,1-2H3;3-4,6-7,10-12,18,25H,5,8-9H2,1-2H3;4,6-7,9,11-12,17,24H,2-3,5,8,10H2,1H3;2-3,8-10,16H,4-7H2,1H3/t;2*11-,12+;;/m.01../s1.

What are the key properties of N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 2243.37 g/mol, XLogP of 9.94, 28 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-(azetidin-3-yloxy)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,6S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide;1-[4-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 161271574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).