2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide

C197H228F10N54O28 — CID 162065146

IUPAC2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC(C)NC(=O)Cn1nc(-c2ccc(CC(F)(F)F)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC(COC(F)(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)CC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(NC34CC(O)(C3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)N1CCC1
InChIInChI=1S/C21H27N5O2.C20H25N5O2.C19H21N5O2.C18H20F3N5O3.C18H19F2N5O3.C18H21N5O3.C18H21N5O2.C17H20N6O3.C16H17F3N4O2.C16H18F2N4O3.C16H19N5O3/c1-2-22-19(27)14-26-20(28)6-4-17(25-26)16-3-5-18(23-13-16)24-21-10-7-15(8-11-21)9-12-21;1-2-21-18(26)13-25-19(27)6-4-16(24-25)15-3-5-17(22-12-15)23-20-9-7-14(11-20)8-10-20;25-17-5-3-15(22-24(17)12-18(26)23-6-1-7-23)14-2-4-16(20-11-14)21-19-8-13(9-19)10-19;1-2-22-16(27)10-26-17(28)6-4-14(24-26)13-3-5-15(23-7-13)25-8-12(9-25)11-29-18(19,20)21;1-11(2)18(3,10-21)23-14(26)9-25-16(27)7-5-13(24-25)12-4-6-15(22-8-12)28-17(19)20;1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13;1-2-19-16(24)11-23-17(25)6-4-14(22-23)13-3-5-15(20-10-13)21-18-7-12(8-18)9-18;1-2-18-13(24)7-23-14(25)4-3-12(22-23)11-5-19-15(20-6-11)21-16-8-17(26,9-16)10-16;1-10(2)21-14(24)9-23-15(25)6-5-13(22-23)11-3-4-12(20-8-11)7-16(17,18)19;1-16(2,3)20-12(23)9-22-14(24)7-5-11(21-22)10-4-6-13(19-8-10)25-15(17)18;1-2-17-15(22)8-21-16(23)6-4-13(20-21)11-3-5-14(18-7-11)19-12-9-24-10-12/h3-6,13,15H,2,7-12,14H2,1H3,(H,22,27)(H,23,24);3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)(H,22,23);2-5,11,13H,1,6-10,12H2,(H,20,21);3-7,12H,2,8-11H2,1H3,(H,22,27);4-8,11,17H,9H2,1-3H3,(H,23,26);3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24);3-6,10,12H,2,7-9,11H2,1H3,(H,19,24)(H,20,21);3-6,26H,2,7-10H2,1H3,(H,18,24)(H,19,20,21);3-6,8,10H,7,9H2,1-2H3,(H,21,24);4-8,15H,9H2,1-3H3,(H,20,23);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19)/t;;;;18-;;;;;;/m....1....../s1
InChIKeyZAJAGXVDIYZTQH-AXMHAJBZSA-N
MW3990.32 g/mol
LogP15.39
Rot. Bonds64

About 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide

2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 162065146) has the molecular formula C197H228F10N54O28 and a molecular weight of 3990.32 g/mol. Its IUPAC name is 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID162065146
Molecular FormulaC197H228F10N54O28
Molecular Weight3990.32 g/mol
Exact Mass3987.79
IUPAC Name2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC(C)NC(=O)Cn1nc(-c2ccc(CC(F)(F)F)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC(COC(F)(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)CC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(NC34CC(O)(C3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)N1CCC1
InChIInChI=1S/C21H27N5O2.C20H25N5O2.C19H21N5O2.C18H20F3N5O3.C18H19F2N5O3.C18H21N5O3.C18H21N5O2.C17H20N6O3.C16H17F3N4O2.C16H18F2N4O3.C16H19N5O3/c1-2-22-19(27)14-26-20(28)6-4-17(25-26)16-3-5-18(23-13-16)24-21-10-7-15(8-11-21)9-12-21;1-2-21-18(26)13-25-19(27)6-4-16(24-25)15-3-5-17(22-12-15)23-20-9-7-14(11-20)8-10-20;25-17-5-3-15(22-24(17)12-18(26)23-6-1-7-23)14-2-4-16(20-11-14)21-19-8-13(9-19)10-19;1-2-22-16(27)10-26-17(28)6-4-14(24-26)13-3-5-15(23-7-13)25-8-12(9-25)11-29-18(19,20)21;1-11(2)18(3,10-21)23-14(26)9-25-16(27)7-5-13(24-25)12-4-6-15(22-8-12)28-17(19)20;1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13;1-2-19-16(24)11-23-17(25)6-4-14(22-23)13-3-5-15(20-10-13)21-18-7-12(8-18)9-18;1-2-18-13(24)7-23-14(25)4-3-12(22-23)11-5-19-15(20-6-11)21-16-8-17(26,9-16)10-16;1-10(2)21-14(24)9-23-15(25)6-5-13(22-23)11-3-4-12(20-8-11)7-16(17,18)19;1-16(2,3)20-12(23)9-22-14(24)7-5-11(21-22)10-4-6-13(19-8-10)25-15(17)18;1-2-17-15(22)8-21-16(23)6-4-13(20-21)11-3-5-14(18-7-11)19-12-9-24-10-12/h3-6,13,15H,2,7-12,14H2,1H3,(H,22,27)(H,23,24);3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)(H,22,23);2-5,11,13H,1,6-10,12H2,(H,20,21);3-7,12H,2,8-11H2,1H3,(H,22,27);4-8,11,17H,9H2,1-3H3,(H,23,26);3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24);3-6,10,12H,2,7-9,11H2,1H3,(H,19,24)(H,20,21);3-6,26H,2,7-10H2,1H3,(H,18,24)(H,19,20,21);3-6,8,10H,7,9H2,1-2H3,(H,21,24);4-8,15H,9H2,1-3H3,(H,20,23);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19)/t;;;;18-;;;;;;/m....1....../s1
InChIKeyZAJAGXVDIYZTQH-AXMHAJBZSA-N
XLogP15.39
TPSA1018.61 Ų
H-Bond Donors17
H-Bond Acceptors71
Rotatable Bonds64
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003990.32
LogP ≤ 515.39
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1071

Analyze 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide (CID 162065146) is 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide is CC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC(C)NC(=O)Cn1nc(-c2ccc(CC(F)(F)F)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC(COC(F)(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)CC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(NC34CC(O)(C3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)N1CCC1.
What is the InChIKey of 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZAJAGXVDIYZTQH-AXMHAJBZSA-N. The full InChI is InChI=1S/C21H27N5O2.C20H25N5O2.C19H21N5O2.C18H20F3N5O3.C18H19F2N5O3.C18H21N5O3.C18H21N5O2.C17H20N6O3.C16H17F3N4O2.C16H18F2N4O3.C16H19N5O3/c1-2-22-19(27)14-26-20(28)6-4-17(25-26)16-3-5-18(23-13-16)24-21-10-7-15(8-11-21)9-12-21;1-2-21-18(26)13-25-19(27)6-4-16(24-25)15-3-5-17(22-12-15)23-20-9-7-14(11-20)8-10-20;25-17-5-3-15(22-24(17)12-18(26)23-6-1-7-23)14-2-4-16(20-11-14)21-19-8-13(9-19)10-19;1-2-22-16(27)10-26-17(28)6-4-14(24-26)13-3-5-15(23-7-13)25-8-12(9-25)11-29-18(19,20)21;1-11(2)18(3,10-21)23-14(26)9-25-16(27)7-5-13(24-25)12-4-6-15(22-8-12)28-17(19)20;1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13;1-2-19-16(24)11-23-17(25)6-4-14(22-23)13-3-5-15(20-10-13)21-18-7-12(8-18)9-18;1-2-18-13(24)7-23-14(25)4-3-12(22-23)11-5-19-15(20-6-11)21-16-8-17(26,9-16)10-16;1-10(2)21-14(24)9-23-15(25)6-5-13(22-23)11-3-4-12(20-8-11)7-16(17,18)19;1-16(2,3)20-12(23)9-22-14(24)7-5-11(21-22)10-4-6-13(19-8-10)25-15(17)18;1-2-17-15(22)8-21-16(23)6-4-13(20-21)11-3-5-14(18-7-11)19-12-9-24-10-12/h3-6,13,15H,2,7-12,14H2,1H3,(H,22,27)(H,23,24);3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)(H,22,23);2-5,11,13H,1,6-10,12H2,(H,20,21);3-7,12H,2,8-11H2,1H3,(H,22,27);4-8,11,17H,9H2,1-3H3,(H,23,26);3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24);3-6,10,12H,2,7-9,11H2,1H3,(H,19,24)(H,20,21);3-6,26H,2,7-10H2,1H3,(H,18,24)(H,19,20,21);3-6,8,10H,7,9H2,1-2H3,(H,21,24);4-8,15H,9H2,1-3H3,(H,20,23);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19)/t;;;;18-;;;;;;/m....1....../s1.
What are the key properties of 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide?
2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 3990.32 g/mol, XLogP of 15.39, 64 rotatable bonds, 17 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-1-yl)-2-oxoethyl]-6-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]pyridazin-3-one;2-[3-[6-(1-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 162065146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).