5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C99H101F2N25O7S6 — CID 157176302

IUPAC5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C
InChIInChI=1S/2C17H17FN4OS.C17H18N4O2S.C17H18N4OS.C16H16N4OS.C15H15N5OS/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;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-5-4-6-12(7-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10/h2*4-6H,7,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21);3-6H,7,16H2,1-2H3,(H,18,21)
InChIKeyAOATXGXJKMBCLS-UHFFFAOYSA-N
MW1983.46 g/mol
LogP17.53
Rot. Bonds19

About 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 157176302) has the molecular formula C99H101F2N25O7S6 and a molecular weight of 1983.46 g/mol. Its IUPAC name is 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID157176302
Molecular FormulaC99H101F2N25O7S6
Molecular Weight1983.46 g/mol
Exact Mass1981.66
IUPAC Name5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C
InChIInChI=1S/2C17H17FN4OS.C17H18N4O2S.C17H18N4OS.C16H16N4OS.C15H15N5OS/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;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-5-4-6-12(7-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10/h2*4-6H,7,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21);3-6H,7,16H2,1-2H3,(H,18,21)
InChIKeyAOATXGXJKMBCLS-UHFFFAOYSA-N
XLogP17.53
TPSA507.52 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.46
LogP ≤ 517.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 157176302) is 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1ccc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1.Cc1cccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c1F.Cc1nnc2sc(C(=O)NCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is AOATXGXJKMBCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17FN4OS.C17H18N4O2S.C17H18N4OS.C16H16N4OS.C15H15N5OS/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;1-8-5-4-6-11(13(8)18)7-20-16(23)15-14(19)12-9(2)10(3)21-22-17(12)24-15;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11;1-9-5-4-6-12(7-9)8-19-16(22)15-14(18)13-10(2)11(3)20-21-17(13)23-15;1-9-10(2)19-20-16-12(9)13(17)14(22-16)15(21)18-8-11-6-4-3-5-7-11;1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-3-5-17-6-4-10/h2*4-6H,7,19H2,1-3H3,(H,20,23);4-7H,8,18H2,1-3H3,(H,19,22);4-7H,8,18H2,1-3H3,(H,19,22);3-7H,8,17H2,1-2H3,(H,18,21);3-6H,7,16H2,1-2H3,(H,18,21).
What are the key properties of 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1983.46 g/mol, XLogP of 17.53, 19 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-fluoro-3-methylphenyl)methyl]-3,4-dimethylthieno[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]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 157176302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).