5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone

C88H103F2N21O10S7 — CID 157159976

About 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone

5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 157159976) has the molecular formula C88H103F2N21O10S7 and a molecular weight of 1877.39 g/mol. Its IUPAC name is 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone
• PubChem CID: 157159976
• Molecular Formula: C88H103F2N21O10S7
• Molecular Weight: 1877.39 g/mol
• Exact Mass: 1875.62
• IUPAC Name: 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone
• SMILES: COC1(C2CCCCC2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C
• InChI: InChI=1S/C20H24N4O3S2.C19H22N4O3S2.C19H26N4O2S.C17H16FN5OS.C13H15FN4OS/c1-11-12(2)23-24-19-15(11)16(21)17(28-19)18(25)22-10-13-6-8-14(9-7-13)29(26,27)20(3,4)5;1-10(2)28(25,26)14-7-5-13(6-8-14)9-21-18(24)17-16(20)15-11(3)12(4)22-23-19(15)27-17;1-11-12(2)21-22-17-14(11)15(20)16(26-17)18(24)23-9-19(10-23,25-3)13-7-5-4-6-8-13;1-9-10(2)21-22-15-12(9)13(19)14(25-15)16(24)23-7-17(18,8-23)11-5-3-4-6-20-11;1-6-7(2)16-17-11-8(6)9(15)10(20-11)12(19)18-4-13(3,14)5-18/h6-9H,10,21H2,1-5H3,(H,22,25);5-8,10H,9,20H2,1-4H3,(H,21,24);13H,4-10,20H2,1-3H3;3-6H,7-8,19H2,1-2H3;4-5,15H2,1-3H3
• InChIKey: AMGINZWLSCXREK-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 468.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.39
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone?

The IUPAC name of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone (CID 157159976) is 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone.

What is the SMILES notation for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone?

The canonical SMILES for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone is COC1(C2CCCCC2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone?

The InChIKey is AMGINZWLSCXREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2.C19H22N4O3S2.C19H26N4O2S.C17H16FN5OS.C13H15FN4OS/c1-11-12(2)23-24-19-15(11)16(21)17(28-19)18(25)22-10-13-6-8-14(9-7-13)29(26,27)20(3,4)5;1-10(2)28(25,26)14-7-5-13(6-8-14)9-21-18(24)17-16(20)15-11(3)12(4)22-23-19(15)27-17;1-11-12(2)21-22-17-14(11)15(20)16(26-17)18(24)23-9-19(10-23,25-3)13-7-5-4-6-8-13;1-9-10(2)21-22-15-12(9)13(19)14(25-15)16(24)23-7-17(18,8-23)11-5-3-4-6-20-11;1-6-7(2)16-17-11-8(6)9(15)10(20-11)12(19)18-4-13(3,14)5-18/h6-9H,10,21H2,1-5H3,(H,22,25);5-8,10H,9,20H2,1-4H3,(H,21,24);13H,4-10,20H2,1-3H3;3-6H,7-8,19H2,1-2H3;4-5,15H2,1-3H3.

What are the key properties of 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone?

5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 1877.39 g/mol, XLogP of 14.39, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(4-tert-butylsulfonylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propan-2-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexyl-3-methoxyazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-methylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-fluoro-3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 157159976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).