5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
C94H96F2N24O7S5 — CID 158039511
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
SMILESCCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C
InChIInChI=1S/C21H23N5O3S.C21H19N5OS.C18H20N4OS.C17H16F2N4OS.C17H18N6OS/c1-4-13-6-5-7-15(8-13)29-21(28)26-9-14(10-26)23-19(27)18-17(22)16-11(2)12(3)24-25-20(16)30-18;1-12-13(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;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)21-22-17-13(9)14(18)15(25-17)16(24)20-11-7-23(8-11)12-4-3-5-19-6-12/h5-8,14H,4,9-10,22H2,1-3H3,(H,23,27);3-9,11H,10,22H2,1-2H3,(H,24,27);5-8H,4,9,19H2,1-3H3,(H,20,23);4-5H,6,20H2,1-3H3,(H,21,24);3-6,11H,7-8,18H2,1-2H3,(H,20,24)
InChIKeyFIEHKFWXYYTZGS-UHFFFAOYSA-N
MW1872.29 g/mol
LogP15.64
Rot. Bonds18
About 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 158039511) has the molecular formula C94H96F2N24O7S5 and a molecular weight of 1872.29 g/mol. Its IUPAC name is 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
Molecular Properties
| Compound Name | 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate |
|---|---|
| PubChem CID | 158039511 |
| Molecular Formula | C94H96F2N24O7S5 |
| Molecular Weight | 1872.29 g/mol |
| Exact Mass | 1870.65 |
| IUPAC Name | 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate |
| SMILES | CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C |
| InChI | InChI=1S/C21H23N5O3S.C21H19N5OS.C18H20N4OS.C17H16F2N4OS.C17H18N6OS/c1-4-13-6-5-7-15(8-13)29-21(28)26-9-14(10-26)23-19(27)18-17(22)16-11(2)12(3)24-25-20(16)30-18;1-12-13(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;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)21-22-17-13(9)14(18)15(25-17)16(24)20-11-7-23(8-11)12-4-3-5-19-6-12/h5-8,14H,4,9-10,22H2,1-3H3,(H,23,27);3-9,11H,10,22H2,1-2H3,(H,24,27);5-8H,4,9,19H2,1-3H3,(H,20,23);4-5H,6,20H2,1-3H3,(H,21,24);3-6,11H,7-8,18H2,1-2H3,(H,20,24) |
| InChIKey | FIEHKFWXYYTZGS-UHFFFAOYSA-N |
| XLogP | 15.64 |
| TPSA | 463.06 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 132 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1872.29 |
| LogP ≤ 5 | 15.64 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 158039511) is 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is FIEHKFWXYYTZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S.C21H19N5OS.C18H20N4OS.C17H16F2N4OS.C17H18N6OS/c1-4-13-6-5-7-15(8-13)29-21(28)26-9-14(10-26)23-19(27)18-17(22)16-11(2)12(3)24-25-20(16)30-18;1-12-13(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;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)21-22-17-13(9)14(18)15(25-17)16(24)20-11-7-23(8-11)12-4-3-5-19-6-12/h5-8,14H,4,9-10,22H2,1-3H3,(H,23,27);3-9,11H,10,22H2,1-2H3,(H,24,27);5-8H,4,9,19H2,1-3H3,(H,20,23);4-5H,6,20H2,1-3H3,(H,21,24);3-6,11H,7-8,18H2,1-2H3,(H,20,24).
What are the key properties of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 1872.29 g/mol, XLogP of 15.64, 18 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 158039511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158039511 — identifiers, structure, computed properties (public domain)
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