(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone

C100H109F2N25O5S5 — CID 159789407

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone (PubChem CID 159789407) has the molecular formula C100H109F2N25O5S5 and a molecular weight of 1939.47 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone
• PubChem CID: 159789407
• Molecular Formula: C100H109F2N25O5S5
• Molecular Weight: 1939.47 g/mol
• Exact Mass: 1937.76
• IUPAC Name: (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone
• SMILES: Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5ccccc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cnn(C)c5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCC4=CC=CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCCC(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccccc4)C3)c(N)c2c1C
• InChI: InChI=1S/C24H21FN4OS.C22H21FN6OS.C19H21N5OS.C18H21N5OS.C17H25N5OS/c1-14-15(2)27-28-22-19(14)20(26)21(31-22)23(30)29-12-24(25,13-29)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-12-13(2)26-27-20-17(12)18(24)19(31-20)21(30)29-10-22(23,11-29)16-6-4-14(5-7-16)15-8-25-28(3)9-15;1-11-12(2)22-23-18-15(11)16(20)17(26-18)19(25)24-9-14(10-24)21-8-13-6-4-3-5-7-13;1-10-11(2)21-22-17-14(10)15(19)16(25-17)18(24)23-8-13(9-23)20-7-12-5-3-4-6-12;1-9(2)5-6-19-12-7-22(8-12)17(23)15-14(18)13-10(3)11(4)20-21-16(13)24-15/h3-11H,12-13,26H2,1-2H3;4-9H,10-11,24H2,1-3H3;3-7,14,21H,8-10,20H2,1-2H3;3-5,13,20H,6-9,19H2,1-2H3;9,12,19H,5-8,18H2,1-4H3
• InChIKey: NIJBWXCGKGUUSY-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 414.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.47
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?

The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone (CID 159789407) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone.

What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?

The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone is Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5ccccc5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(F)(c4ccc(-c5cnn(C)c5)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCC4=CC=CC4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCCC(C)C)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC(NCc4ccccc4)C3)c(N)c2c1C.

What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?

The InChIKey is NIJBWXCGKGUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS.C22H21FN6OS.C19H21N5OS.C18H21N5OS.C17H25N5OS/c1-14-15(2)27-28-22-19(14)20(26)21(31-22)23(30)29-12-24(25,13-29)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-12-13(2)26-27-20-17(12)18(24)19(31-20)21(30)29-10-22(23,11-29)16-6-4-14(5-7-16)15-8-25-28(3)9-15;1-11-12(2)22-23-18-15(11)16(20)17(26-18)19(25)24-9-14(10-24)21-8-13-6-4-3-5-7-13;1-10-11(2)21-22-17-14(10)15(19)16(25-17)18(24)23-8-13(9-23)20-7-12-5-3-4-6-12;1-9(2)5-6-19-12-7-22(8-12)17(23)15-14(18)13-10(3)11(4)20-21-16(13)24-15/h3-11H,12-13,26H2,1-2H3;4-9H,10-11,24H2,1-3H3;3-7,14,21H,8-10,20H2,1-2H3;3-5,13,20H,6-9,19H2,1-2H3;9,12,19H,5-8,18H2,1-4H3.

What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone?

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone has a molecular weight of 1939.47 g/mol, XLogP of 15.54, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(cyclopenta-1,3-dien-1-ylmethylamino)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(4-phenylphenyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(3-methylbutylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 159789407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).