5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate)

C118H123FN28O12S6 — CID 158693245

About 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate)

5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate) (PubChem CID 158693245) has the molecular formula C118H123FN28O12S6 and a molecular weight of 2336.87 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-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-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate)
• PubChem CID: 158693245
• Molecular Formula: C118H123FN28O12S6
• Molecular Weight: 2336.87 g/mol
• Exact Mass: 2334.82
• IUPAC Name: 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate)
• SMILES: COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1ccc([C@H]2C[C@@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCC4)cc3)c(N)c2c1C
• InChI: InChI=1S/C21H19N5OS.C21H25N5OS.2C20H21N5O3S.C19H20N4O2S.C17H17FN4O2S/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-10-14-5-7-15(8-6-14)16-4-3-9-23-11-16;1-13-14(2)24-25-21-17(13)18(22)19(28-21)20(27)23-11-15-5-7-16(8-6-15)12-26-9-3-4-10-26;2*1-10-5-4-6-14(7-10)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;1-9-10(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;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h3-9,11H,10,22H2,1-2H3,(H,24,27);5-8H,3-4,9-12,22H2,1-2H3,(H,23,27);2*4-7,13H,8-9,21H2,1-3H3,(H,22,26);4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-6H,7,19H2,1-3H3,(H,20,23)/t;;;;13-,14+;/m....1./s1
• InChIKey: IGPRMGKZCCZZPI-WKSPZCGBSA-N
• XLogP: 19.07
• TPSA: 579.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.87
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-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-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate) (CID 158693245) is 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-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-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-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-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate) is COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1ccc([C@H]2C[C@@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(CN4CCCC4)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate)?

The InChIKey is IGPRMGKZCCZZPI-WKSPZCGBSA-N. The full InChI is InChI=1S/C21H19N5OS.C21H25N5OS.2C20H21N5O3S.C19H20N4O2S.C17H17FN4O2S/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-10-14-5-7-15(8-6-14)16-4-3-9-23-11-16;1-13-14(2)24-25-21-17(13)18(22)19(28-21)20(27)23-11-15-5-7-16(8-6-15)12-26-9-3-4-10-26;2*1-10-5-4-6-14(7-10)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;1-9-10(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;1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h3-9,11H,10,22H2,1-2H3,(H,24,27);5-8H,3-4,9-12,22H2,1-2H3,(H,23,27);2*4-7,13H,8-9,21H2,1-3H3,(H,22,26);4-7,13-14H,8,20H2,1-3H3,(H,21,24);4-6H,7,19H2,1-3H3,(H,20,23)/t;;;;13-,14+;/m....1./s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate)?

5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate) has a molecular weight of 2336.87 g/mol, XLogP of 19.07, 23 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;bis((3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate) is sourced from PubChem (CID 158693245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).