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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide

C143H161F10N37O21S — CID 159067602

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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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)NC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC1(F)CC(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)C1.CCNC(=O)Cn1nc(-c2ccc(N3CC4(C3)CS(=O)(=O)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)N1CCC1
InChIInChI=1S/C20H25N5O2.C19H21N5O2.C19H23N5O2.C18H19F2N5O3.C18H21N5O4S.C17H17F3N4O3.C16H17F3N4O2.C16H18F2N4O3/c1-2-21-18(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;1-12(2)21-17(25)11-24-18(26)6-4-15(23-24)14-3-5-16(20-10-14)22-19-7-13(8-19)9-19;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;1-2-19-16(24)8-23-17(25)6-4-14(21-23)13-3-5-15(20-7-13)22-9-18(10-22)11-28(26,27)12-18;1-17(20)6-11(7-17)22-13(25)9-24-15(26)5-3-12(23-24)10-2-4-14(21-8-10)27-16(18)19;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/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)(H,22,23);2-5,11,13H,1,6-10,12H2,(H,20,21);3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,22)(H,21,25);4-8,11,17H,9H2,1-3H3,(H,23,26);3-7H,2,8-12H2,1H3,(H,19,24);2-5,8,11,16H,6-7,9H2,1H3,(H,22,25);3-6,8,10H,7,9H2,1-2H3,(H,21,24);4-8,15H,9H2,1-3H3,(H,20,23)/t;;;18-;;;;/m...1..../s1
InChIKeyJZGIKYGTYRLZRK-SBHUYCQVSA-N
MW2956.15 g/mol
LogP12.79
Rot. Bonds45

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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 159067602) has the molecular formula C143H161F10N37O21S and a molecular weight of 2956.15 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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID159067602
Molecular FormulaC143H161F10N37O21S
Molecular Weight2956.15 g/mol
Exact Mass2954.22
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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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)NC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC1(F)CC(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)C1.CCNC(=O)Cn1nc(-c2ccc(N3CC4(C3)CS(=O)(=O)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)N1CCC1
InChIInChI=1S/C20H25N5O2.C19H21N5O2.C19H23N5O2.C18H19F2N5O3.C18H21N5O4S.C17H17F3N4O3.C16H17F3N4O2.C16H18F2N4O3/c1-2-21-18(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;1-12(2)21-17(25)11-24-18(26)6-4-15(23-24)14-3-5-16(20-10-14)22-19-7-13(8-19)9-19;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;1-2-19-16(24)8-23-17(25)6-4-14(21-23)13-3-5-15(20-7-13)22-9-18(10-22)11-28(26,27)12-18;1-17(20)6-11(7-17)22-13(25)9-24-15(26)5-3-12(23-24)10-2-4-14(21-8-10)27-16(18)19;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/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)(H,22,23);2-5,11,13H,1,6-10,12H2,(H,20,21);3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,22)(H,21,25);4-8,11,17H,9H2,1-3H3,(H,23,26);3-7H,2,8-12H2,1H3,(H,19,24);2-5,8,11,16H,6-7,9H2,1H3,(H,22,25);3-6,8,10H,7,9H2,1-2H3,(H,21,24);4-8,15H,9H2,1-3H3,(H,20,23)/t;;;18-;;;;/m...1..../s1
InChIKeyJZGIKYGTYRLZRK-SBHUYCQVSA-N
XLogP12.79
TPSA731.20 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds45
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002956.15
LogP ≤ 512.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;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-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 160790153
CID 162065146
CID 162065146
2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2lambda6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;ethane;molecular hydrogen
CID 157048571
2-[3-[6-[1-bicyclo[1.1.1]pentanyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-[(2S)-butan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2R)-butan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-phenylcyclobutyl)acetamide;N-ethyl-2-[3-(6-methylsulfanyl-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide
CID 162028751

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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide (CID 159067602) 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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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)NC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC1(F)CC(NC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)C1.CCNC(=O)Cn1nc(-c2ccc(N3CC4(C3)CS(=O)(=O)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JZGIKYGTYRLZRK-SBHUYCQVSA-N. The full InChI is InChI=1S/C20H25N5O2.C19H21N5O2.C19H23N5O2.C18H19F2N5O3.C18H21N5O4S.C17H17F3N4O3.C16H17F3N4O2.C16H18F2N4O3/c1-2-21-18(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;1-12(2)21-17(25)11-24-18(26)6-4-15(23-24)14-3-5-16(20-10-14)22-19-7-13(8-19)9-19;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;1-2-19-16(24)8-23-17(25)6-4-14(21-23)13-3-5-15(20-7-13)22-9-18(10-22)11-28(26,27)12-18;1-17(20)6-11(7-17)22-13(25)9-24-15(26)5-3-12(23-24)10-2-4-14(21-8-10)27-16(18)19;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/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,26)(H,22,23);2-5,11,13H,1,6-10,12H2,(H,20,21);3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,22)(H,21,25);4-8,11,17H,9H2,1-3H3,(H,23,26);3-7H,2,8-12H2,1H3,(H,19,24);2-5,8,11,16H,6-7,9H2,1H3,(H,22,25);3-6,8,10H,7,9H2,1-2H3,(H,21,24);4-8,15H,9H2,1-3H3,(H,20,23)/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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 2956.15 g/mol, XLogP of 12.79, 45 rotatable bonds, 10 hydrogen bond donors, and 50 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[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide;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;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(3-fluoro-3-methylcyclobutyl)acetamide;2-[3-[6-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 159067602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).