N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

C90H103F12N35O14S5 — CID 159045139

IUPACN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)C1(F)F.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1
InChIInChI=1S/C19H21F4N7O2S.3C18H21F2N7O3S.C17H19F2N7O3S/c1-11-8-29(9-12(19(11,22)23)6-27-33(2,31)32)17-5-14(25-10-26-17)15-7-24-16-4-3-13(18(20)21)28-30(15)16;3*1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-30(27,28)23-7-11-9-25(4-5-29-11)16-6-13(21-10-22-16)14-8-20-15-3-2-12(17(18)19)24-26(14)15/h3-5,7,10-12,18,27H,6,8-9H2,1-2H3;3*3-5,7,10-12,18,24H,6,8-9H2,1-2H3;2-3,6,8,10-11,17,23H,4-5,7,9H2,1H3/t;;;;11-/m....1/s1
InChIKeyJWODFWLDHJEQPD-PXAOQQMGSA-N
MW2287.36 g/mol
LogP7.06
Rot. Bonds30

About N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 159045139) has the molecular formula C90H103F12N35O14S5 and a molecular weight of 2287.36 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
PubChem CID159045139
Molecular FormulaC90H103F12N35O14S5
Molecular Weight2287.36 g/mol
Exact Mass2285.68
IUPAC NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)C1(F)F.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1
InChIInChI=1S/C19H21F4N7O2S.3C18H21F2N7O3S.C17H19F2N7O3S/c1-11-8-29(9-12(19(11,22)23)6-27-33(2,31)32)17-5-14(25-10-26-17)15-7-24-16-4-3-13(18(20)21)28-30(15)16;3*1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-30(27,28)23-7-11-9-25(4-5-29-11)16-6-13(21-10-22-16)14-8-20-15-3-2-12(17(18)19)24-26(14)15/h3-5,7,10-12,18,27H,6,8-9H2,1-2H3;3*3-5,7,10-12,18,24H,6,8-9H2,1-2H3;2-3,6,8,10-11,17,23H,4-5,7,9H2,1H3/t;;;;11-/m....1/s1
InChIKeyJWODFWLDHJEQPD-PXAOQQMGSA-N
XLogP7.06
TPSA563.82 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds30
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.36
LogP ≤ 57.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

3-methyl-N-(1-methylsulfonylpiperidin-4-yl)-6-[6-morpholin-4-yl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067813
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-morpholin-4-ylpyridin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 139343510
N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide
CID 139343949
N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide
CID 139344045
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide
CID 139344047
N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide
CID 139357841
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 139358162
N-[[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139359348
N-[[(2R,3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6,6-trimethylmorpholin-2-yl]methyl]methanesulfonamide
CID 139359354
N-[[(2R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide
CID 139359406
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-dimethylmorpholin-2-yl]methyl]methanesulfonamide
CID 139359438
N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-(trifluoromethyl)morpholin-2-yl]methyl]methanesulfonamide
CID 139359484

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 159045139) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)C1(F)F.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)O1.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.
What is the InChIKey of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is JWODFWLDHJEQPD-PXAOQQMGSA-N. The full InChI is InChI=1S/C19H21F4N7O2S.3C18H21F2N7O3S.C17H19F2N7O3S/c1-11-8-29(9-12(19(11,22)23)6-27-33(2,31)32)17-5-14(25-10-26-17)15-7-24-16-4-3-13(18(20)21)28-30(15)16;3*1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-30(27,28)23-7-11-9-25(4-5-29-11)16-6-13(21-10-22-16)14-8-20-15-3-2-12(17(18)19)24-26(14)15/h3-5,7,10-12,18,27H,6,8-9H2,1-2H3;3*3-5,7,10-12,18,24H,6,8-9H2,1-2H3;2-3,6,8,10-11,17,23H,4-5,7,9H2,1H3/t;;;;11-/m....1/s1.
What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 2287.36 g/mol, XLogP of 7.06, 30 rotatable bonds, 5 hydrogen bond donors, and 44 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]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 159045139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).