5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide

C98H99F5N22O12S7 — CID 161417995

About 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161417995) has the molecular formula C98H99F5N22O12S7 and a molecular weight of 2096.47 g/mol. Its IUPAC name is 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 161417995
• Molecular Formula: C98H99F5N22O12S7
• Molecular Weight: 2096.47 g/mol
• Exact Mass: 2094.58
• IUPAC Name: 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COC1(CCC2OCCCO2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(S(C)(F)(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)=NCN=4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OC(C)(F)O4)c(N)c2c1C
• InChI: InChI=1S/C27H22N4O3S2.C19H26N4O4S.C18H17FN4O3S.C17H18F4N4OS2.C17H16N6OS/c1-36(33,34)20-14-12-17(13-15-20)16-29-26(32)25-23(28)22-21(18-8-4-2-5-9-18)24(30-31-27(22)35-25)19-10-6-3-7-11-19;1-11-12(2)21-22-17-14(11)15(20)16(28-17)18(24)23-9-19(10-23,25-3)6-5-13-26-7-4-8-27-13;1-8-9(2)22-23-17-13(8)14(20)15(27-17)16(24)21-7-10-4-5-11-12(6-10)26-18(3,19)25-11;1-9-10(2)24-25-17-13(9)14(22)15(27-17)16(26)23-8-11-4-6-12(7-5-11)28(3,18,19,20)21;1-8-9(2)22-23-17-13(8)14(18)15(25-17)16(24)19-6-10-3-4-11-12(5-10)21-7-20-11/h2-15H,16,28H2,1H3,(H,29,32);13H,4-10,20H2,1-3H3;4-6H,7,20H2,1-3H3,(H,21,24);4-7H,8,22H2,1-3H3,(H,23,26);3-5H,6-7,18H2,1-2H3,(H,19,24)
• InChIKey: VWIOCWVUXOWWPF-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 500.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.47
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide (CID 161417995) is 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide is COC1(CCC2OCCCO2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.CS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(S(C)(F)(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)=NCN=4)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(c3)OC(C)(F)O4)c(N)c2c1C.

What is the InChIKey of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is VWIOCWVUXOWWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S2.C19H26N4O4S.C18H17FN4O3S.C17H18F4N4OS2.C17H16N6OS/c1-36(33,34)20-14-12-17(13-15-20)16-29-26(32)25-23(28)22-21(18-8-4-2-5-9-18)24(30-31-27(22)35-25)19-10-6-3-7-11-19;1-11-12(2)21-22-17-14(11)15(20)16(28-17)18(24)23-9-19(10-23,25-3)6-5-13-26-7-4-8-27-13;1-8-9(2)22-23-17-13(8)14(20)15(27-17)16(24)21-7-10-4-5-11-12(6-10)26-18(3,19)25-11;1-9-10(2)24-25-17-13(9)14(22)15(27-17)16(26)23-8-11-4-6-12(7-5-11)28(3,18,19,20)21;1-8-9(2)22-23-17-13(8)14(18)15(25-17)16(24)19-6-10-3-4-11-12(5-10)21-7-20-11/h2-15H,16,28H2,1H3,(H,29,32);13H,4-10,20H2,1-3H3;4-6H,7,20H2,1-3H3,(H,21,24);4-7H,8,22H2,1-3H3,(H,23,26);3-5H,6-7,18H2,1-2H3,(H,19,24).

What are the key properties of 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2096.47 g/mol, XLogP of 16.70, 21 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2H-benzimidazol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]methyl]thieno[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-methoxyazetidin-1-yl]methanone;5-amino-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methylsulfonylphenyl)methyl]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161417995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).