5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C119H129F3N28O10S7 — CID 162015851

About 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162015851) has the molecular formula C119H129F3N28O10S7 and a molecular weight of 2392.99 g/mol. Its IUPAC name is 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 162015851
• Molecular Formula: C119H129F3N28O10S7
• Molecular Weight: 2392.99 g/mol
• Exact Mass: 2390.84
• IUPAC Name: 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1.Cc1ccc(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4ccccc4c3)c(N)c2c1C
• InChI: InChI=1S/2C22H27N5OS.C20H22N6O2S.C20H18N4OS.C18H18F2N4O3S2.C17H17FN4O2S/c2*1-14-15(2)25-26-22-18(14)19(23)20(29-22)21(28)24-12-16-6-8-17(9-7-16)13-27-10-4-3-5-11-27;1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;1-11-12(2)23-24-20-16(11)17(21)18(26-20)19(25)22-10-13-7-8-14-5-3-4-6-15(14)9-13;1-9-10(2)23-24-17-13(9)14(21)15(28-17)16(25)22-8-11-4-6-12(7-5-11)29(26,27)18(3,19)20;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-11(24-3)6-12(10)18/h2*6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);3-9H,10,21H2,1-2H3,(H,22,25);4-7H,8,21H2,1-3H3,(H,22,25);4-6H,7,19H2,1-3H3,(H,20,23)
• InChIKey: YUCAJZOOFCXEDO-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 567.59 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2392.99
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 162015851) is 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1.Cc1ccc(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4ccccc4c3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is YUCAJZOOFCXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N5OS.C20H22N6O2S.C20H18N4OS.C18H18F2N4O3S2.C17H17FN4O2S/c2*1-14-15(2)25-26-22-18(14)19(23)20(29-22)21(28)24-12-16-6-8-17(9-7-16)13-27-10-4-3-5-11-27;1-10-4-6-13(7-5-10)23-20(28)26-8-14(9-26)22-18(27)17-16(21)15-11(2)12(3)24-25-19(15)29-17;1-11-12(2)23-24-20-16(11)17(21)18(26-20)19(25)22-10-13-7-8-14-5-3-4-6-15(14)9-13;1-9-10(2)23-24-17-13(9)14(21)15(28-17)16(25)22-8-11-4-6-12(7-5-11)29(26,27)18(3,19)20;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-11(24-3)6-12(10)18/h2*6-9H,3-5,10-13,23H2,1-2H3,(H,24,28);4-7,14H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);3-9H,10,21H2,1-2H3,(H,22,25);4-7H,8,21H2,1-3H3,(H,22,25);4-6H,7,19H2,1-3H3,(H,20,23).

What are the key properties of 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2392.99 g/mol, XLogP of 20.61, 25 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[(4-methylphenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(naphthalen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 162015851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).