5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C114H124N28O13S7 — CID 158028873

About 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 158028873) has the molecular formula C114H124N28O13S7 and a molecular weight of 2318.90 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 158028873
• Molecular Formula: C114H124N28O13S7
• Molecular Weight: 2318.90 g/mol
• Exact Mass: 2316.79
• IUPAC Name: 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: COc1ccc(C2CC2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3CCN(c4ccccc4)C3)c(N)c2c1C
• InChI: InChI=1S/C20H22N6O3S.C20H21N5O3S.C19H21N5OS.C19H22N4O3S2.C19H20N4O2S.C17H18N4OS/c1-10-11(2)24-25-19-15(10)16(21)17(30-19)18(27)22-13-8-26(9-13)20(28)23-12-4-6-14(29-3)7-5-12;1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-13-8-9-24(10-13)14-6-4-3-5-7-14;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;1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h4-7,13H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-7,13H,8-10,20H2,1-2H3,(H,21,25);5-8,10H,9,20H2,1-4H3,(H,21,24);4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22)/t;;13-;;;/m..0.../s1
• InChIKey: FGYCKKPLLYYUDR-MXBVFJNMSA-N
• XLogP: 17.57
• TPSA: 603.12 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.90
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 158028873) is 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is COc1ccc(C2CC2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.COc1ccc(NC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N[C@H]3CCN(c4ccccc4)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is FGYCKKPLLYYUDR-MXBVFJNMSA-N. The full InChI is InChI=1S/C20H22N6O3S.C20H21N5O3S.C19H21N5OS.C19H22N4O3S2.C19H20N4O2S.C17H18N4OS/c1-10-11(2)24-25-19-15(10)16(21)17(30-19)18(27)22-13-8-26(9-13)20(28)23-12-4-6-14(29-3)7-5-12;1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-11-12(2)22-23-19-15(11)16(20)17(26-19)18(25)21-13-8-9-24(10-13)14-6-4-3-5-7-14;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;1-9-10(2)22-23-19-15(9)16(20)17(26-19)18(24)21-14-8-13(14)11-4-6-12(25-3)7-5-11;1-9-4-6-12(7-5-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15/h4-7,13H,8-9,21H2,1-3H3,(H,22,27)(H,23,28);4-7,13H,8-9,21H2,1-3H3,(H,22,26);3-7,13H,8-10,20H2,1-2H3,(H,21,25);5-8,10H,9,20H2,1-4H3,(H,21,24);4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22)/t;;13-;;;/m..0.../s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2318.90 g/mol, XLogP of 17.57, 22 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3S)-1-phenylpyrrolidin-3-yl]thieno[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-N-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 158028873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).