5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C112H114F3N29O9S6 — CID 160660653

About 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 160660653) has the molecular formula C112H114F3N29O9S6 and a molecular weight of 2259.73 g/mol. Its IUPAC name is 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 160660653
• Molecular Formula: C112H114F3N29O9S6
• Molecular Weight: 2259.73 g/mol
• Exact Mass: 2257.76
• IUPAC Name: 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-n4ccccc4=O)c(F)c3)c(N)c2c1C
• InChI: InChI=1S/C21H18FN5O2S.C21H23N5O3S.C18H19N5OS.C18H20N4OS.C17H16F2N4OS.C17H18N6OS/c1-11-12(2)25-26-21-17(11)18(23)19(30-21)20(29)24-10-13-6-7-15(14(22)9-13)27-8-4-3-5-16(27)28;1-4-13-6-5-7-15(8-13)29-21(28)26-9-14(10-26)23-19(27)18-17(22)16-11(2)12(3)24-25-20(16)30-18;1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(24)20-12-8-23(9-12)13-6-4-3-5-7-13;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)21-22-17-13(9)14(18)15(25-17)16(24)20-11-7-23(8-11)12-4-3-5-19-6-12/h3-9H,10,23H2,1-2H3,(H,24,29);5-8,14H,4,9-10,22H2,1-3H3,(H,23,27);3-7,12H,8-9,19H2,1-2H3,(H,20,24);5-8H,4,9,19H2,1-3H3,(H,20,23);4-5H,6,20H2,1-3H3,(H,21,24);3-6,11H,7-8,18H2,1-2H3,(H,20,24)
• InChIKey: RLPXWHSUKYDBMA-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 556.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.73
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 160660653) is 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is CCc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1.CCc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)cc1F.Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-n4ccccc4=O)c(F)c3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is RLPXWHSUKYDBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S.C21H23N5O3S.C18H19N5OS.C18H20N4OS.C17H16F2N4OS.C17H18N6OS/c1-11-12(2)25-26-21-17(11)18(23)19(30-21)20(29)24-10-13-6-7-15(14(22)9-13)27-8-4-3-5-16(27)28;1-4-13-6-5-7-15(8-13)29-21(28)26-9-14(10-26)23-19(27)18-17(22)16-11(2)12(3)24-25-20(16)30-18;1-10-11(2)21-22-18-14(10)15(19)16(25-18)17(24)20-12-8-23(9-12)13-6-4-3-5-7-13;1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16;1-7-4-10(12(19)5-11(7)18)6-21-16(24)15-14(20)13-8(2)9(3)22-23-17(13)25-15;1-9-10(2)21-22-17-13(9)14(18)15(25-17)16(24)20-11-7-23(8-11)12-4-3-5-19-6-12/h3-9H,10,23H2,1-2H3,(H,24,29);5-8,14H,4,9-10,22H2,1-3H3,(H,23,27);3-7,12H,8-9,19H2,1-2H3,(H,20,24);5-8H,4,9,19H2,1-3H3,(H,20,23);4-5H,6,20H2,1-3H3,(H,21,24);3-6,11H,7-8,18H2,1-2H3,(H,20,24).

What are the key properties of 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2259.73 g/mol, XLogP of 17.38, 21 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(2,4-difluoro-5-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-phenylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-ethylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[3-fluoro-4-(2-oxo-1-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-ethylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 160660653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).