5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

C131H152F5N33O13S7 — CID 157218282

IUPAC5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCCOC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.COc1ccc(C2CC2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C5CCCC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4C(F)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN3CCOCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCCO4)c(N)c2c1C
InChIInChI=1S/C21H23F2N5OS.C20H20F3N5OS.C20H27N5OS.C19H20N4O2S.C18H23N5O3S.C18H18N4O3S.C15H21N5O2S/c1-11-12(2)26-27-20-16(11)17(24)18(30-20)19(29)25-14-8-9-28(10-14)15-6-4-13(5-7-15)21(3,22)23;1-10-11(2)26-27-19-15(10)16(24)17(30-19)18(29)25-12-7-8-28(9-12)14-6-4-3-5-13(14)20(21,22)23;1-11-12(2)22-23-19-16(11)17(21)18(27-19)20(26)25-9-13-7-24(8-14(13)10-25)15-5-3-4-6-15;1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-4-26-18(25)23-7-11-5-22(6-12(11)8-23)17(24)15-14(19)13-9(2)10(3)20-21-16(13)27-15;1-9-10(2)21-22-18-14(9)15(19)16(26-18)17(23)20-8-11-3-4-12-13(7-11)25-6-5-24-12;1-9-10(2)18-19-15-11(9)12(16)13(23-15)14(21)17-3-4-20-5-7-22-8-6-20/h4-7,14H,8-10,24H2,1-3H3,(H,25,29);3-6,12H,7-9,24H2,1-2H3,(H,25,29);13-15H,3-10,21H2,1-2H3;4-7,13-14H,8,20H2,1-3H3,(H,21,24);11-12H,4-8,19H2,1-3H3;3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-8,16H2,1-2H3,(H,17,21)
InChIKeyASRGLGZPBOQIQZ-UHFFFAOYSA-N
MW2716.33 g/mol
LogP19.54
Rot. Bonds22

About 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 157218282) has the molecular formula C131H152F5N33O13S7 and a molecular weight of 2716.33 g/mol. Its IUPAC name is 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Name5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
PubChem CID157218282
Molecular FormulaC131H152F5N33O13S7
Molecular Weight2716.33 g/mol
Exact Mass2714.02
IUPAC Name5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCCOC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.COc1ccc(C2CC2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C5CCCC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4C(F)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN3CCOCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCCO4)c(N)c2c1C
InChIInChI=1S/C21H23F2N5OS.C20H20F3N5OS.C20H27N5OS.C19H20N4O2S.C18H23N5O3S.C18H18N4O3S.C15H21N5O2S/c1-11-12(2)26-27-20-16(11)17(24)18(30-20)19(29)25-14-8-9-28(10-14)15-6-4-13(5-7-15)21(3,22)23;1-10-11(2)26-27-19-15(10)16(24)17(30-19)18(29)25-12-7-8-28(9-12)14-6-4-3-5-13(14)20(21,22)23;1-11-12(2)22-23-19-16(11)17(21)18(27-19)20(26)25-9-13-7-24(8-14(13)10-25)15-5-3-4-6-15;1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-4-26-18(25)23-7-11-5-22(6-12(11)8-23)17(24)15-14(19)13-9(2)10(3)20-21-16(13)27-15;1-9-10(2)21-22-18-14(9)15(19)16(26-18)17(23)20-8-11-3-4-12-13(7-11)25-6-5-24-12;1-9-10(2)18-19-15-11(9)12(16)13(23-15)14(21)17-3-4-20-5-7-22-8-6-20/h4-7,14H,8-10,24H2,1-3H3,(H,25,29);3-6,12H,7-9,24H2,1-2H3,(H,25,29);13-15H,3-10,21H2,1-2H3;4-7,13-14H,8,20H2,1-3H3,(H,21,24);11-12H,4-8,19H2,1-3H3;3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-8,16H2,1-2H3,(H,17,21)
InChIKeyASRGLGZPBOQIQZ-UHFFFAOYSA-N
XLogP19.54
TPSA628.14 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds22
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002716.33
LogP ≤ 519.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate with MolForge

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Related Compounds

5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-piperidin-1-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 159623309
5-amino-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
CID 161186453
1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-ethylphenyl)-3-methoxyazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-phenylazetidin-1-yl)methanone;1-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate
CID 159541362
1-amino-N-(cyclopropylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;1-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(3-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone;1-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-3-phenylazetidin-3-yl]carbamate
CID 159838168

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate (CID 157218282) is 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is CCOC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.COc1ccc(C2CC2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)N3CC4CN(C5CCCC5)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4C(F)(F)F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCCN3CCOCC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OCCO4)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
The InChIKey is ASRGLGZPBOQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5OS.C20H20F3N5OS.C20H27N5OS.C19H20N4O2S.C18H23N5O3S.C18H18N4O3S.C15H21N5O2S/c1-11-12(2)26-27-20-16(11)17(24)18(30-20)19(29)25-14-8-9-28(10-14)15-6-4-13(5-7-15)21(3,22)23;1-10-11(2)26-27-19-15(10)16(24)17(30-19)18(29)25-12-7-8-28(9-12)14-6-4-3-5-13(14)20(21,22)23;1-11-12(2)22-23-19-16(11)17(21)18(27-19)20(26)25-9-13-7-24(8-14(13)10-25)15-5-3-4-6-15;1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-4-26-18(25)23-7-11-5-22(6-12(11)8-23)17(24)15-14(19)13-9(2)10(3)20-21-16(13)27-15;1-9-10(2)21-22-18-14(9)15(19)16(26-18)17(23)20-8-11-3-4-12-13(7-11)25-6-5-24-12;1-9-10(2)18-19-15-11(9)12(16)13(23-15)14(21)17-3-4-20-5-7-22-8-6-20/h4-7,14H,8-10,24H2,1-3H3,(H,25,29);3-6,12H,7-9,24H2,1-2H3,(H,25,29);13-15H,3-10,21H2,1-2H3;4-7,13-14H,8,20H2,1-3H3,(H,21,24);11-12H,4-8,19H2,1-3H3;3-4,7H,5-6,8,19H2,1-2H3,(H,20,23);3-8,16H2,1-2H3,(H,17,21).
What are the key properties of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate?
5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 2716.33 g/mol, XLogP of 19.54, 22 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-cyclopentyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;5-amino-3,4-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;ethyl 2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 157218282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).