5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
C111H116FN35O9S9 — CID 162100043
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 162100043) has the molecular formula C111H116FN35O9S9 and a molecular weight of 2391.99 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.
Molecular Properties
| Compound Name | 5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide |
|---|---|
| PubChem CID | 162100043 |
| Molecular Formula | C111H116FN35O9S9 |
| Molecular Weight | 2391.99 g/mol |
| Exact Mass | 2389.72 |
| IUPAC Name | 5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide |
| SMILES | COc1ccc(CNC(=O)c2sc3nnccc3c2N)cc1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3cccs3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ncccn3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12 |
| InChI | InChI=1S/C17H17FN4OS.C16H17N5OS.C15H14N4O2S.C14H14N6OS.C14H14N4OS2.C13H16N4OS.C12H14N4OS.C10H10N4OS/c1-8-4-5-12(18)11(6-8)7-20-16(23)15-14(19)13-9(2)10(3)21-22-17(13)24-15;1-8-6-11(4-5-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14;1-21-10-4-2-9(3-5-10)8-17-14(20)13-12(16)11-6-7-18-19-15(11)22-13;1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)18-6-9-16-4-3-5-17-9;1-7-8(2)17-18-14-10(7)11(15)12(21-14)13(19)16-6-9-4-3-5-20-9;1-6-7(2)16-17-13-9(6)10(14)11(19-13)12(18)15-5-8-3-4-8;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h4-6H,7,19H2,1-3H3,(H,20,23);4-6H,7,17H2,1-3H3,(H,19,22);2-7H,8,16H2,1H3,(H,17,20);3-5H,6,15H2,1-2H3,(H,18,21);3-5H,6,15H2,1-2H3,(H,16,19);8H,3-5,14H2,1-2H3,(H,15,18);7H,3-4,13H2,1-2H3,(H,14,17);3-5H,1-2,11H2,(H,13,15) |
| InChIKey | ZETJCBFOPQGOIU-UHFFFAOYSA-N |
| XLogP | 17.47 |
| TPSA | 695.10 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.99 |
| LogP ≤ 5 | 17.47 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 45 |
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Sources
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