5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone

C129H142F2N34O15S8 — CID 158055541

About 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone

5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone (PubChem CID 158055541) has the molecular formula C129H142F2N34O15S8 and a molecular weight of 2705.32 g/mol. Its IUPAC name is 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone
• PubChem CID: 158055541
• Molecular Formula: C129H142F2N34O15S8
• Molecular Weight: 2705.32 g/mol
• Exact Mass: 2702.93
• IUPAC Name: 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone
• SMILES: COC1(C)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1ccc(C2(OC)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC(F)(CCC4OCCCO4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCOC3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3ccncc3)c(N)c2c1C.[2H]C([2H])(NC(=O)c1sc2nnc(C)c(C)c2c1N)c1ccc(OC)cc1
• InChI: InChI=1S/C20H22N4O3S.C19H19FN4OS.C18H23FN4O3S.C17H18N4O2S.2C14H13N5OS.C14H18N4O2S.C13H16N4O2S/c1-11-12(2)22-23-18-15(11)16(21)17(28-18)19(25)24-9-20(10-24,27-4)13-5-7-14(26-3)8-6-13;1-10-5-4-6-13(7-10)19(20)8-24(9-19)18(25)16-15(21)14-11(2)12(3)22-23-17(14)26-16;1-10-11(2)21-22-16-13(10)14(20)15(27-16)17(24)23-8-18(19,9-23)5-4-12-25-6-3-7-26-12;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-7-8(2)18-19-14-10(7)11(15)12(21-14)13(20)17-9-3-5-16-6-4-9;1-7-8(2)18-19-14-10(7)11(15)12(21-14)13(20)17-9-5-3-4-6-16-9;1-7-8(2)16-17-12-9(7)10(15)11(21-12)13(19)18-5-14(3,6-18)20-4;1-6-7(2)16-17-13-9(6)10(14)11(20-13)12(18)15-8-3-4-19-5-8/h5-8H,9-10,21H2,1-4H3;4-7H,8-9,21H2,1-3H3;12H,3-9,20H2,1-2H3;4-7H,8,18H2,1-3H3,(H,19,22);2*3-6H,15H2,1-2H3,(H,16,17,20);5-6,15H2,1-4H3;8H,3-5,14H2,1-2H3,(H,15,18)/i;;;8D2
• InChIKey: FJZUOQQHCGXWKF-JFINGPJJSA-N
• XLogP: 20.08
• TPSA: 702.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 49
• Rotatable Bonds: 22
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2705.32
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?

The IUPAC name of 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone (CID 158055541) is 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone.

What is the SMILES notation for 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?

The canonical SMILES for 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone is COC1(C)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1ccc(C2(OC)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cccc(C2(F)CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC(F)(CCC4OCCCO4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCOC3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)Nc3ccncc3)c(N)c2c1C.[2H]C([2H])(NC(=O)c1sc2nnc(C)c(C)c2c1N)c1ccc(OC)cc1.

What is the InChIKey of 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?

The InChIKey is FJZUOQQHCGXWKF-JFINGPJJSA-N. The full InChI is InChI=1S/C20H22N4O3S.C19H19FN4OS.C18H23FN4O3S.C17H18N4O2S.2C14H13N5OS.C14H18N4O2S.C13H16N4O2S/c1-11-12(2)22-23-18-15(11)16(21)17(28-18)19(25)24-9-20(10-24,27-4)13-5-7-14(26-3)8-6-13;1-10-5-4-6-13(7-10)19(20)8-24(9-19)18(25)16-15(21)14-11(2)12(3)22-23-17(14)26-16;1-10-11(2)21-22-16-13(10)14(20)15(27-16)17(24)23-8-18(19,9-23)5-4-12-25-6-3-7-26-12;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-7-8(2)18-19-14-10(7)11(15)12(21-14)13(20)17-9-3-5-16-6-4-9;1-7-8(2)18-19-14-10(7)11(15)12(21-14)13(20)17-9-5-3-4-6-16-9;1-7-8(2)16-17-12-9(7)10(15)11(21-12)13(19)18-5-14(3,6-18)20-4;1-6-7(2)16-17-13-9(6)10(14)11(20-13)12(18)15-8-3-4-19-5-8/h5-8H,9-10,21H2,1-4H3;4-7H,8-9,21H2,1-3H3;12H,3-9,20H2,1-2H3;4-7H,8,18H2,1-3H3,(H,19,22);2*3-6H,15H2,1-2H3,(H,16,17,20);5-6,15H2,1-4H3;8H,3-5,14H2,1-2H3,(H,15,18)/i;;;8D2;;;;.

What are the key properties of 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone?

5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone has a molecular weight of 2705.32 g/mol, XLogP of 20.08, 22 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[dideuterio-(4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(oxolan-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-2-ylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-pyridin-4-ylthieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[2-(1,3-dioxan-2-yl)ethyl]-3-fluoroazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-methylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-methoxy-3-(4-methoxyphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 158055541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).