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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide

C98H97F5N24O9S6 — CID 158020207

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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 158020207) has the molecular formula C98H97F5N24O9S6 and a molecular weight of 2042.40 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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 158020207
• Molecular Formula: C98H97F5N24O9S6
• Molecular Weight: 2042.40 g/mol
• Exact Mass: 2040.61
• 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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)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/C21H18FN5OS.C21H19N5OS.C20H22F2N4O2S.C19H20FN5O3S2.C17H18FN5O2S/c1-11-12(2)26-27-21-16(11)17(23)18(29-21)20(28)25-10-13-5-7-14(8-6-13)15-4-3-9-24-19(15)22;1-12-13(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)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;1-9-4-5-14(13(20)6-9)30(27,28)25-7-12(8-25)22-18(26)17-16(21)15-10(2)11(3)23-24-19(15)29-17;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/h3-9H,10,23H2,1-2H3,(H,25,28);3-10H,11,22H2,1-2H3,(H,24,27);5-8,28H,9,23H2,1-4H3,(H,24,27);4-6,12H,7-8,21H2,1-3H3,(H,22,26);4-6,10H,7,19H2,1-3H3,(H,21,24)
• InChIKey: FFYUTMDQAZWUKB-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 510.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.40
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide (CID 158020207) 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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is Cc1ccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is FFYUTMDQAZWUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5OS.C21H19N5OS.C20H22F2N4O2S.C19H20FN5O3S2.C17H18FN5O2S/c1-11-12(2)26-27-21-16(11)17(23)18(29-21)20(28)25-10-13-5-7-14(8-6-13)15-4-3-9-24-19(15)22;1-12-13(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)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;1-9-4-5-14(13(20)6-9)30(27,28)25-7-12(8-25)22-18(26)17-16(21)15-10(2)11(3)23-24-19(15)29-17;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/h3-9H,10,23H2,1-2H3,(H,25,28);3-10H,11,22H2,1-2H3,(H,24,27);5-8,28H,9,23H2,1-4H3,(H,24,27);4-6,12H,7-8,21H2,1-3H3,(H,22,26);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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 2042.40 g/mol, XLogP of 16.64, 22 rotatable bonds, 11 hydrogen bond donors, and 32 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-pyridin-4-ylphenyl)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-[1-(2-fluoro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-fluoro-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 158020207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).