5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C86H91FN22O10S7 — CID 158940029

About 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158940029) has the molecular formula C86H91FN22O10S7 and a molecular weight of 1836.28 g/mol. Its IUPAC name is 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 158940029
• Molecular Formula: C86H91FN22O10S7
• Molecular Weight: 1836.28 g/mol
• Exact Mass: 1834.53
• IUPAC Name: 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.COc1ccc([C@@H]2C[C@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(S(C)=O)cc3)c(N)c2c1C
• InChI: InChI=1S/C19H20N4O2S.C18H19FN4O2S2.C17H18N4O2S2.2C16H17N5O2S/c1-9-10(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;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-11-5-6-13(12(19)7-11)27(3,4)25;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(7-5-11)25(3)23;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-11(23-3)18-6-10/h4-7,13-14H,8,20H2,1-3H3,(H,21,24);5-7H,3,8,20H2,1-2,4H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22);2*4-6H,7,17H2,1-3H3,(H,19,22)/t13-,14+;;;;/m0..../s1
• InChIKey: JKDAZAMBFTYEJK-CIGCOMLQSA-N
• XLogP: 12.85
• TPSA: 492.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1836.28
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158940029) is 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is C=S(C)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F.COc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1.COc1ccc([C@@H]2C[C@H]2NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(S(C)=O)cc3)c(N)c2c1C.

What is the InChIKey of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is JKDAZAMBFTYEJK-CIGCOMLQSA-N. The full InChI is InChI=1S/C19H20N4O2S.C18H19FN4O2S2.C17H18N4O2S2.2C16H17N5O2S/c1-9-10(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;1-9-10(2)22-23-18-14(9)15(20)16(26-18)17(24)21-8-11-5-6-13(12(19)7-11)27(3,4)25;1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(7-5-11)25(3)23;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-18-11(6-10)23-3;1-8-9(2)20-21-16-12(8)13(17)14(24-16)15(22)19-7-10-4-5-11(23-3)18-6-10/h4-7,13-14H,8,20H2,1-3H3,(H,21,24);5-7H,3,8,20H2,1-2,4H3,(H,21,24);4-7H,8,18H2,1-3H3,(H,19,22);2*4-6H,7,17H2,1-3H3,(H,19,22)/t13-,14+;;;;/m0..../s1.

What are the key properties of 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 1836.28 g/mol, XLogP of 12.85, 20 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3,4-dimethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158940029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).