5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C17H17FN4O2S — CID 171344187

IUPAC5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
InChIInChI=1S/C17H17FN4O2S/c1-8-9(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/h4-6H,7,19H2,1-3H3,(H,20,23)/i3D3
InChIKeyVFNHDIWHQGVWLL-HPRDVNIFSA-N
MW363.43 g/mol
LogP2.97
Rot. Bonds5

About 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 171344187) has the molecular formula C17H17FN4O2S and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID171344187
Molecular FormulaC17H17FN4O2S
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Name5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
SMILES[2H]C([2H])([2H])Oc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
InChIInChI=1S/C17H17FN4O2S/c1-8-9(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/h4-6H,7,19H2,1-3H3,(H,20,23)/i3D3
InChIKeyVFNHDIWHQGVWLL-HPRDVNIFSA-N
XLogP2.97
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 171344187) is 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is [2H]C([2H])([2H])Oc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.
What is the InChIKey of 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is VFNHDIWHQGVWLL-HPRDVNIFSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-8-9(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/h4-6H,7,19H2,1-3H3,(H,20,23)/i3D3.
What are the key properties of 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[3-fluoro-4-(trideuteriomethoxy)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 171344187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).