4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

C157H198F10N38O24S9 — CID 158676375

IUPAC4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)cc1.Cc1cc(F)cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cc(F)cc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)c1.Cc1cccc(S(=O)(=O)C(C)(C2CCN(C(=O)Nc3ccnnc3)CC2)C(C)(F)F)c1.Cn1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)c(C(F)F)n1.Cn1cc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)c(C(F)F)n1.Cn1cccc1S(=O)(=O)C1(C2CCN(C(=O)Nc3ccnnc3)CC2)CCC1.Cn1cccc1S(=O)(=O)C1(C2CCN(C(=O)Nc3cnns3)CC2)CCC1
InChIInChI=1S/C22H26F2N4O3S.C21H26F2N4O3S.C21H25FN4O3S.C20H25FN4O3S.C19H24F2N6O3S.C19H25N5O3S.C18H24F2N6O3S.C17H23N5O3S2/c1-21(23,24)16-3-5-19(6-4-16)32(30,31)22(10-2-11-22)17-8-13-28(14-9-17)20(29)27-18-7-12-25-26-15-18;1-15-5-4-6-18(13-15)31(29,30)20(2,21(3,22)23)16-8-11-27(12-9-16)19(28)26-17-7-10-24-25-14-17;1-15-11-17(22)13-19(12-15)30(28,29)21(6-2-7-21)16-4-9-26(10-5-16)20(27)25-18-3-8-23-24-14-18;1-14-10-16(21)12-18(11-14)29(27,28)20(2,3)15-5-8-25(9-6-15)19(26)24-17-4-7-22-23-13-17;1-26-12-15(16(25-26)17(20)21)31(29,30)19(6-2-7-19)13-4-9-27(10-5-13)18(28)24-14-3-8-22-23-11-14;1-23-11-2-4-17(23)28(26,27)19(8-3-9-19)15-6-12-24(13-7-15)18(25)22-16-5-10-20-21-14-16;1-18(2,30(28,29)14-11-25(3)24-15(14)16(19)20)12-5-8-26(9-6-12)17(27)23-13-4-7-21-22-10-13;1-21-9-2-4-15(21)27(24,25)17(7-3-8-17)13-5-10-22(11-6-13)16(23)19-14-12-18-20-26-14/h3-7,12,15,17H,2,8-11,13-14H2,1H3,(H,25,27,29);4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,24,26,28);3,8,11-14,16H,2,4-7,9-10H2,1H3,(H,23,25,27);4,7,10-13,15H,5-6,8-9H2,1-3H3,(H,22,24,26);3,8,11-13,17H,2,4-7,9-10H2,1H3,(H,22,24,28);2,4-5,10-11,14-15H,3,6-9,12-13H2,1H3,(H,20,22,25);4,7,10-12,16H,5-6,8-9H2,1-3H3,(H,21,23,27);2,4,9,12-13H,3,5-8,10-11H2,1H3,(H,19,23)
InChIKeyIEOMKEJDTKTVMT-UHFFFAOYSA-N
MW3480.14 g/mol
LogP25.54
Rot. Bonds36

About 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 158676375) has the molecular formula C157H198F10N38O24S9 and a molecular weight of 3480.14 g/mol. Its IUPAC name is 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID158676375
Molecular FormulaC157H198F10N38O24S9
Molecular Weight3480.14 g/mol
Exact Mass3477.28
IUPAC Name4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(F)(F)c1ccc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)cc1.Cc1cc(F)cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cc(F)cc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)c1.Cc1cccc(S(=O)(=O)C(C)(C2CCN(C(=O)Nc3ccnnc3)CC2)C(C)(F)F)c1.Cn1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)c(C(F)F)n1.Cn1cc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)c(C(F)F)n1.Cn1cccc1S(=O)(=O)C1(C2CCN(C(=O)Nc3ccnnc3)CC2)CCC1.Cn1cccc1S(=O)(=O)C1(C2CCN(C(=O)Nc3cnns3)CC2)CCC1
InChIInChI=1S/C22H26F2N4O3S.C21H26F2N4O3S.C21H25FN4O3S.C20H25FN4O3S.C19H24F2N6O3S.C19H25N5O3S.C18H24F2N6O3S.C17H23N5O3S2/c1-21(23,24)16-3-5-19(6-4-16)32(30,31)22(10-2-11-22)17-8-13-28(14-9-17)20(29)27-18-7-12-25-26-15-18;1-15-5-4-6-18(13-15)31(29,30)20(2,21(3,22)23)16-8-11-27(12-9-16)19(28)26-17-7-10-24-25-14-17;1-15-11-17(22)13-19(12-15)30(28,29)21(6-2-7-21)16-4-9-26(10-5-16)20(27)25-18-3-8-23-24-14-18;1-14-10-16(21)12-18(11-14)29(27,28)20(2,3)15-5-8-25(9-6-15)19(26)24-17-4-7-22-23-13-17;1-26-12-15(16(25-26)17(20)21)31(29,30)19(6-2-7-19)13-4-9-27(10-5-13)18(28)24-14-3-8-22-23-11-14;1-23-11-2-4-17(23)28(26,27)19(8-3-9-19)15-6-12-24(13-7-15)18(25)22-16-5-10-20-21-14-16;1-18(2,30(28,29)14-11-25(3)24-15(14)16(19)20)12-5-8-26(9-6-12)17(27)23-13-4-7-21-22-10-13;1-21-9-2-4-15(21)27(24,25)17(7-3-8-17)13-5-10-22(11-6-13)16(23)19-14-12-18-20-26-14/h3-7,12,15,17H,2,8-11,13-14H2,1H3,(H,25,27,29);4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,24,26,28);3,8,11-14,16H,2,4-7,9-10H2,1H3,(H,23,25,27);4,7,10-13,15H,5-6,8-9H2,1-3H3,(H,22,24,26);3,8,11-13,17H,2,4-7,9-10H2,1H3,(H,22,24,28);2,4-5,10-11,14-15H,3,6-9,12-13H2,1H3,(H,20,22,25);4,7,10-12,16H,5-6,8-9H2,1-3H3,(H,21,23,27);2,4,9,12-13H,3,5-8,10-11H2,1H3,(H,19,23)
InChIKeyIEOMKEJDTKTVMT-UHFFFAOYSA-N
XLogP25.54
TPSA783.58 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds36
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003480.14
LogP ≤ 525.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (CID 158676375) is 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is CC(F)(F)c1ccc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)cc1.Cc1cc(F)cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)c1.Cc1cc(F)cc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)c1.Cc1cccc(S(=O)(=O)C(C)(C2CCN(C(=O)Nc3ccnnc3)CC2)C(C)(F)F)c1.Cn1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)c(C(F)F)n1.Cn1cc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccnnc4)CC3)CCC2)c(C(F)F)n1.Cn1cccc1S(=O)(=O)C1(C2CCN(C(=O)Nc3ccnnc3)CC2)CCC1.Cn1cccc1S(=O)(=O)C1(C2CCN(C(=O)Nc3cnns3)CC2)CCC1.
What is the InChIKey of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is IEOMKEJDTKTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3S.C21H26F2N4O3S.C21H25FN4O3S.C20H25FN4O3S.C19H24F2N6O3S.C19H25N5O3S.C18H24F2N6O3S.C17H23N5O3S2/c1-21(23,24)16-3-5-19(6-4-16)32(30,31)22(10-2-11-22)17-8-13-28(14-9-17)20(29)27-18-7-12-25-26-15-18;1-15-5-4-6-18(13-15)31(29,30)20(2,21(3,22)23)16-8-11-27(12-9-16)19(28)26-17-7-10-24-25-14-17;1-15-11-17(22)13-19(12-15)30(28,29)21(6-2-7-21)16-4-9-26(10-5-16)20(27)25-18-3-8-23-24-14-18;1-14-10-16(21)12-18(11-14)29(27,28)20(2,3)15-5-8-25(9-6-15)19(26)24-17-4-7-22-23-13-17;1-26-12-15(16(25-26)17(20)21)31(29,30)19(6-2-7-19)13-4-9-27(10-5-13)18(28)24-14-3-8-22-23-11-14;1-23-11-2-4-17(23)28(26,27)19(8-3-9-19)15-6-12-24(13-7-15)18(25)22-16-5-10-20-21-14-16;1-18(2,30(28,29)14-11-25(3)24-15(14)16(19)20)12-5-8-26(9-6-12)17(27)23-13-4-7-21-22-10-13;1-21-9-2-4-15(21)27(24,25)17(7-3-8-17)13-5-10-22(11-6-13)16(23)19-14-12-18-20-26-14/h3-7,12,15,17H,2,8-11,13-14H2,1H3,(H,25,27,29);4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,24,26,28);3,8,11-14,16H,2,4-7,9-10H2,1H3,(H,23,25,27);4,7,10-13,15H,5-6,8-9H2,1-3H3,(H,22,24,26);3,8,11-13,17H,2,4-7,9-10H2,1H3,(H,22,24,28);2,4-5,10-11,14-15H,3,6-9,12-13H2,1H3,(H,20,22,25);4,7,10-12,16H,5-6,8-9H2,1-3H3,(H,21,23,27);2,4,9,12-13H,3,5-8,10-11H2,1H3,(H,19,23).
What are the key properties of 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 3480.14 g/mol, XLogP of 25.54, 36 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[3,3-difluoro-2-(3-methylphenyl)sulfonylbutan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(3-fluoro-5-methylphenyl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(3-fluoro-5-methylphenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[1-(1-methylpyrrol-2-yl)sulfonylcyclobutyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 158676375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).