bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)

C98H117F16N37O10S5 — CID 160912034

IUPACbis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)
SMILESCC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1C.CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1C.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
InChIInChI=1S/3C20H23F4N7O2S.2C19H24F2N8O2S/c3*1-11-9-30(12(2)13(20(11,23)24)7-28-34(3,32)33)18-6-15(26-10-27-18)16-8-25-17-5-4-14(19(21)22)29-31(16)17;2*1-12(26-32(3,30)31)16-10-28(7-6-27(16)2)18-8-14(23-11-24-18)15-9-22-17-5-4-13(19(20)21)25-29(15)17/h3*4-6,8,10-13,19,28H,7,9H2,1-3H3;2*4-5,8-9,11-12,16,19,26H,6-7,10H2,1-3H3/t11-,12-,13+;;;;/m0..../s1
InChIKeySQXKLLNUNWWCEY-QXHTVVIDSA-N
MW2437.57 g/mol
LogP10.67
Rot. Bonds30

About bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)

bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide) (PubChem CID 160912034) has the molecular formula C98H117F16N37O10S5 and a molecular weight of 2437.57 g/mol. Its IUPAC name is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide).

Molecular Properties

Compound Namebis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)
PubChem CID160912034
Molecular FormulaC98H117F16N37O10S5
Molecular Weight2437.57 g/mol
Exact Mass2435.81
IUPAC Namebis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)
SMILESCC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1C.CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1C.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
InChIInChI=1S/3C20H23F4N7O2S.2C19H24F2N8O2S/c3*1-11-9-30(12(2)13(20(11,23)24)7-28-34(3,32)33)18-6-15(26-10-27-18)16-8-25-17-5-4-14(19(21)22)29-31(16)17;2*1-12(26-32(3,30)31)16-10-28(7-6-27(16)2)18-8-14(23-11-24-18)15-9-22-17-5-4-13(19(20)21)25-29(15)17/h3*4-6,8,10-13,19,28H,7,9H2,1-3H3;2*4-5,8-9,11-12,16,19,26H,6-7,10H2,1-3H3/t11-,12-,13+;;;;/m0..../s1
InChIKeySQXKLLNUNWWCEY-QXHTVVIDSA-N
XLogP10.67
TPSA533.38 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.57
LogP ≤ 510.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Analyze bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide) with MolForge

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Related Compounds

N-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]methanesulfonamide
CID 58335557
N-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]methanesulfonamide
CID 67029219
N-[[5-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-8,8-difluoro-5-azaspiro[2.5]octan-7-yl]methyl]methanesulfonamide
CID 139343217
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343243
N-[[(2S,3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343456
N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343474
N-[[(2R,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343593
N-[(3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanesulfonamide
CID 139343633
N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343741
N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343828
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343872
N-[[(2R,3S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343913

Frequently Asked Questions

What is the IUPAC name of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)?
The IUPAC name of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide) (CID 160912034) is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide).
What is the SMILES notation for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)?
The canonical SMILES for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide) is CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1C.CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1C.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.
What is the InChIKey of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)?
The InChIKey is SQXKLLNUNWWCEY-QXHTVVIDSA-N. The full InChI is InChI=1S/3C20H23F4N7O2S.2C19H24F2N8O2S/c3*1-11-9-30(12(2)13(20(11,23)24)7-28-34(3,32)33)18-6-15(26-10-27-18)16-8-25-17-5-4-14(19(21)22)29-31(16)17;2*1-12(26-32(3,30)31)16-10-28(7-6-27(16)2)18-8-14(23-11-24-18)15-9-22-17-5-4-13(19(20)21)25-29(15)17/h3*4-6,8,10-13,19,28H,7,9H2,1-3H3;2*4-5,8-9,11-12,16,19,26H,6-7,10H2,1-3H3/t11-,12-,13+;;;;/m0..../s1.
What are the key properties of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide)?
bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide) has a molecular weight of 2437.57 g/mol, XLogP of 10.67, 30 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2S,3R,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethyl]methanesulfonamide) is sourced from PubChem (CID 160912034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).