5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C108H126FN29O12S6 — CID 159240427

IUPAC5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESC=C(C)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C(C)C)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5c(c4)OCO5)C3)c(N)c2c1C
InChIInChI=1S/C20H19N5O4S.C20H27N5O2S.C19H25N5O2S.C18H17FN4OS.C16H19N5O2S.C15H19N5OS/c1-9-10(2)23-24-19-15(9)16(21)17(30-19)18(26)22-12-6-25(7-12)20(27)11-3-4-13-14(5-11)29-8-28-13;1-4-5-6-15(26)24-7-13-9-25(10-14(13)8-24)20(27)18-17(21)16-11(2)12(3)22-23-19(16)28-18;1-9(2)18(25)23-5-12-7-24(8-13(12)6-23)19(26)16-15(20)14-10(3)11(4)21-22-17(14)27-16;1-9-10(2)22-23-17-13(9)14(20)15(25-17)16(24)21-18(7-8-18)11-3-5-12(19)6-4-11;1-7-8(2)19-20-15-11(7)12(17)13(24-15)14(22)18-10-5-21(6-10)16(23)9-3-4-9;1-7(2)20-5-10(6-20)17-14(21)13-12(16)11-8(3)9(4)18-19-15(11)22-13/h3-5,12H,6-8,21H2,1-2H3,(H,22,26);13-14H,4-10,21H2,1-3H3;9,12-13H,5-8,20H2,1-4H3;3-6H,7-8,20H2,1-2H3,(H,21,24);9-10H,3-6,17H2,1-2H3,(H,18,22);10H,1,5-6,16H2,2-4H3,(H,17,21)
InChIKeyKUADKOJLJHEPML-UHFFFAOYSA-N
MW2233.79 g/mol
LogP13.09
Rot. Bonds18

About 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159240427) has the molecular formula C108H126FN29O12S6 and a molecular weight of 2233.79 g/mol. Its IUPAC name is 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID159240427
Molecular FormulaC108H126FN29O12S6
Molecular Weight2233.79 g/mol
Exact Mass2231.84
IUPAC Name5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESC=C(C)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C(C)C)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5c(c4)OCO5)C3)c(N)c2c1C
InChIInChI=1S/C20H19N5O4S.C20H27N5O2S.C19H25N5O2S.C18H17FN4OS.C16H19N5O2S.C15H19N5OS/c1-9-10(2)23-24-19-15(9)16(21)17(30-19)18(26)22-12-6-25(7-12)20(27)11-3-4-13-14(5-11)29-8-28-13;1-4-5-6-15(26)24-7-13-9-25(10-14(13)8-24)20(27)18-17(21)16-11(2)12(3)22-23-19(16)28-18;1-9(2)18(25)23-5-12-7-24(8-13(12)6-23)19(26)16-15(20)14-10(3)11(4)21-22-17(14)27-16;1-9-10(2)22-23-17-13(9)14(20)15(25-17)16(24)21-18(7-8-18)11-3-5-12(19)6-4-11;1-7-8(2)19-20-15-11(7)12(17)13(24-15)14(22)18-10-5-21(6-10)16(23)9-3-4-9;1-7(2)20-5-10(6-20)17-14(21)13-12(16)11-8(3)9(4)18-19-15(11)22-13/h3-5,12H,6-8,21H2,1-2H3,(H,22,26);13-14H,4-10,21H2,1-3H3;9,12-13H,5-8,20H2,1-4H3;3-6H,7-8,20H2,1-2H3,(H,21,24);9-10H,3-6,17H2,1-2H3,(H,18,22);10H,1,5-6,16H2,2-4H3,(H,17,21)
InChIKeyKUADKOJLJHEPML-UHFFFAOYSA-N
XLogP13.09
TPSA570.76 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002233.79
LogP ≤ 513.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

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
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 161438555
5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-cyclohexylethanone;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;5-amino-N-[(4-ethylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-fluoro-3-methylbenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 161952480

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 159240427) is 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is C=C(C)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.CCCCC(=O)N1CC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2C1.Cc1nnc2sc(C(=O)N3CC4CN(C(=O)C(C)C)CC4C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)C4CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5c(c4)OCO5)C3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is KUADKOJLJHEPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S.C20H27N5O2S.C19H25N5O2S.C18H17FN4OS.C16H19N5O2S.C15H19N5OS/c1-9-10(2)23-24-19-15(9)16(21)17(30-19)18(26)22-12-6-25(7-12)20(27)11-3-4-13-14(5-11)29-8-28-13;1-4-5-6-15(26)24-7-13-9-25(10-14(13)8-24)20(27)18-17(21)16-11(2)12(3)22-23-19(16)28-18;1-9(2)18(25)23-5-12-7-24(8-13(12)6-23)19(26)16-15(20)14-10(3)11(4)21-22-17(14)27-16;1-9-10(2)22-23-17-13(9)14(20)15(25-17)16(24)21-18(7-8-18)11-3-5-12(19)6-4-11;1-7-8(2)19-20-15-11(7)12(17)13(24-15)14(22)18-10-5-21(6-10)16(23)9-3-4-9;1-7(2)20-5-10(6-20)17-14(21)13-12(16)11-8(3)9(4)18-19-15(11)22-13/h3-5,12H,6-8,21H2,1-2H3,(H,22,26);13-14H,4-10,21H2,1-3H3;9,12-13H,5-8,20H2,1-4H3;3-6H,7-8,20H2,1-2H3,(H,21,24);9-10H,3-6,17H2,1-2H3,(H,18,22);10H,1,5-6,16H2,2-4H3,(H,17,21).
What are the key properties of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2233.79 g/mol, XLogP of 13.09, 18 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-prop-1-en-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;1-[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one;1-[5-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pentan-1-one;5-amino-N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).