(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

C118H126F2N28O15S7 — CID 158955007

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 158955007) has the molecular formula C118H126F2N28O15S7 and a molecular weight of 2438.95 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• PubChem CID: 158955007
• Molecular Formula: C118H126F2N28O15S7
• Molecular Weight: 2438.95 g/mol
• Exact Mass: 2436.80
• IUPAC Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
• SMILES: COc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.COc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(F)c3)c(N)c2c1C
• InChI: InChI=1S/C22H21N5O2S.3C20H21N5O3S.C18H18F2N4O3S2.C18H24N4OS/c1-12-13(2)26-27-22-18(12)19(23)20(30-22)21(28)25-9-14-4-6-15(7-5-14)16-8-17(29-3)11-24-10-16;1-10-11(2)23-24-19-15(10)16(21)17(29-19)18(26)22-13-8-25(9-13)20(27)12-4-6-14(28-3)7-5-12;1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-10-5-4-6-14(7-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(20)6-11)29(26,27)10(3)19;1-10-11(2)20-21-17-14(10)15(19)16(24-17)18(23)22-8-13(9-22)12-6-4-3-5-7-12/h4-8,10-11H,9,23H2,1-3H3,(H,25,28);3*4-7,13H,8-9,21H2,1-3H3,(H,22,26);4-6,10H,7,21H2,1-3H3,(H,22,25);12-13H,3-9,19H2,1-2H3
• InChIKey: JLWXJHAGIHIECN-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 621.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.95
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 158955007) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is COc1ccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.COc1cncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)c1.Cc1ccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1.Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)F)c(F)c3)c(N)c2c1C.

What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

The InChIKey is JLWXJHAGIHIECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.3C20H21N5O3S.C18H18F2N4O3S2.C18H24N4OS/c1-12-13(2)26-27-22-18(12)19(23)20(30-22)21(28)25-9-14-4-6-15(7-5-14)16-8-17(29-3)11-24-10-16;1-10-11(2)23-24-19-15(10)16(21)17(29-19)18(26)22-13-8-25(9-13)20(27)12-4-6-14(28-3)7-5-12;1-10-4-6-14(7-5-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-10-5-4-6-14(7-10)28-20(27)25-8-13(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)29-17;1-8-9(2)23-24-18-14(8)15(21)16(28-18)17(25)22-7-11-4-5-13(12(20)6-11)29(26,27)10(3)19;1-10-11(2)20-21-17-14(10)15(19)16(24-17)18(23)22-8-13(9-22)12-6-4-3-5-7-12/h4-8,10-11H,9,23H2,1-3H3,(H,25,28);3*4-7,13H,8-9,21H2,1-3H3,(H,22,26);4-6,10H,7,21H2,1-3H3,(H,22,25);12-13H,3-9,19H2,1-2H3.

What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2438.95 g/mol, XLogP of 18.26, 22 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone;5-amino-N-[[3-fluoro-4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(4-methoxybenzoyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(5-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(3-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-methylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 158955007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).