N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate

C112H122FN29O15S8 — CID 160605202

About N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate

N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate (PubChem CID 160605202) has the molecular formula C112H122FN29O15S8 and a molecular weight of 2389.93 g/mol. Its IUPAC name is N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate.

Molecular Properties

• Compound Name: N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate
• PubChem CID: 160605202
• Molecular Formula: C112H122FN29O15S8
• Molecular Weight: 2389.93 g/mol
• Exact Mass: 2387.74
• IUPAC Name: N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate
• SMILES: CCCOC(=O)NC1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1cccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1nnc2sc(C(=O)N3CC(NC(=O)CCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4CN(c5cnccn5)CC4C3)c(N)c2c1C
• InChI: InChI=1S/C21H23N5O2S.C19H19FN4O3S2.C19H21N7OS.C19H20N4O4S2.C18H18N4O2S.C16H21N5O3S/c1-12-13(2)24-25-20-17(12)18(22)19(29-20)21(28)26-10-15(11-26)23-16(27)9-8-14-6-4-3-5-7-14;1-9-4-5-14(13(20)6-9)29(26,27)12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)28-17;1-10-11(2)23-24-18-15(10)16(20)17(28-18)19(27)26-8-12-6-25(7-13(12)9-26)14-5-21-3-4-22-14;1-10-11(2)21-22-18-15(10)16(20)17(28-18)19(24)23-8-14(9-23)29(25,26)13-6-4-5-12(7-13)27-3;1-10-11(2)20-21-16-13(10)14(19)15(25-16)17(23)22-8-18(24,9-22)12-6-4-3-5-7-12;1-4-5-24-16(23)18-10-6-21(7-10)15(22)13-12(17)11-8(2)9(3)19-20-14(11)25-13/h3-7,15H,8-11,22H2,1-2H3,(H,23,27);4-6,12H,7-8,21H2,1-3H3;3-5,12-13H,6-9,20H2,1-2H3;4-7,14H,8-9,20H2,1-3H3;3-7,24H,8-9,19H2,1-2H3;10H,4-7,17H2,1-3H3,(H,18,23)
• InChIKey: RETZEABFQYUSAO-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 626.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.93
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

The IUPAC name of N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate (CID 160605202) is N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate.

What is the SMILES notation for N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

The canonical SMILES for N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate is CCCOC(=O)NC1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1.COc1cccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1ccc(S(=O)(=O)C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.Cc1nnc2sc(C(=O)N3CC(NC(=O)CCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4CN(c5cnccn5)CC4C3)c(N)c2c1C.

What is the InChIKey of N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

The InChIKey is RETZEABFQYUSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S.C19H19FN4O3S2.C19H21N7OS.C19H20N4O4S2.C18H18N4O2S.C16H21N5O3S/c1-12-13(2)24-25-20-17(12)18(22)19(29-20)21(28)26-10-15(11-26)23-16(27)9-8-14-6-4-3-5-7-14;1-9-4-5-14(13(20)6-9)29(26,27)12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)28-17;1-10-11(2)23-24-18-15(10)16(20)17(28-18)19(27)26-8-12-6-25(7-13(12)9-26)14-5-21-3-4-22-14;1-10-11(2)21-22-18-15(10)16(20)17(28-18)19(24)23-8-14(9-23)29(25,26)13-6-4-5-12(7-13)27-3;1-10-11(2)20-21-16-13(10)14(19)15(25-16)17(23)22-8-18(24,9-22)12-6-4-3-5-7-12;1-4-5-24-16(23)18-10-6-21(7-10)15(22)13-12(17)11-8(2)9(3)19-20-14(11)25-13/h3-7,15H,8-11,22H2,1-2H3,(H,23,27);4-6,12H,7-8,21H2,1-3H3;3-5,12-13H,6-9,20H2,1-2H3;4-7,14H,8-9,20H2,1-3H3;3-7,24H,8-9,19H2,1-2H3;10H,4-7,17H2,1-3H3,(H,18,23).

What are the key properties of N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate?

N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate has a molecular weight of 2389.93 g/mol, XLogP of 13.27, 20 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]-3-phenylpropanamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-hydroxy-3-phenylazetidin-1-yl)methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methoxyphenyl)sulfonylazetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;propyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 160605202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).