5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C97H102F6N22O9S6 — CID 159146619

About 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 159146619) has the molecular formula C97H102F6N22O9S6 and a molecular weight of 2026.42 g/mol. Its IUPAC name is 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 159146619
• Molecular Formula: C97H102F6N22O9S6
• Molecular Weight: 2026.42 g/mol
• Exact Mass: 2024.64
• IUPAC Name: 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)nc3)c(N)c2c1C
• InChI: InChI=1S/C21H19N5OS.C20H21F3N4OS.C20H22F2N4O2S.C19H22N4O3S2.C17H18FN5O2S/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16;1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-10-11(2)25-26-18-14(10)15(23)16(29-18)17(27)24-9-12-5-7-13(8-6-12)19(3,28)20(4,21)22;1-4-9-28(25,26)14-7-5-13(6-8-14)10-21-18(24)17-16(20)15-11(2)12(3)22-23-19(15)27-17;1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(24)21-7-11-4-5-12(20-6-11)25-10(3)18/h3-10H,11,22H2,1-2H3,(H,24,27);5-8H,9,24H2,1-4H3,(H,25,28);5-8,28H,9,23H2,1-4H3,(H,24,27);5-8H,4,9-10,20H2,1-3H3,(H,21,24);4-6,10H,7,19H2,1-3H3,(H,21,24)
• InChIKey: KITJHFSVLPANCG-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 493.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2026.42
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 159146619) is 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is CCCS(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(C)C(F)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(C(C)(O)C(C)(F)F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(OC(C)F)nc3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is KITJHFSVLPANCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS.C20H21F3N4OS.C20H22F2N4O2S.C19H22N4O3S2.C17H18FN5O2S/c1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-11-14-3-5-15(6-4-14)16-7-9-23-10-8-16;1-10-11(2)26-27-18-14(10)15(24)16(29-18)17(28)25-9-12-5-7-13(8-6-12)19(3,4)20(21,22)23;1-10-11(2)25-26-18-14(10)15(23)16(29-18)17(27)24-9-12-5-7-13(8-6-12)19(3,28)20(4,21)22;1-4-9-28(25,26)14-7-5-13(6-8-14)10-21-18(24)17-16(20)15-11(2)12(3)22-23-19(15)27-17;1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(24)21-7-11-4-5-12(20-6-11)25-10(3)18/h3-10H,11,22H2,1-2H3,(H,24,27);5-8H,9,24H2,1-4H3,(H,25,28);5-8,28H,9,23H2,1-4H3,(H,24,27);5-8H,4,9-10,20H2,1-3H3,(H,21,24);4-6,10H,7,19H2,1-3H3,(H,21,24).

What are the key properties of 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2026.42 g/mol, XLogP of 18.14, 24 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[4-(3,3-difluoro-2-hydroxybutan-2-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 159146619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).