5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone

C112H130F2N28O13S9 — CID 159232467

About 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone

5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone (PubChem CID 159232467) has the molecular formula C112H130F2N28O13S9 and a molecular weight of 2403.05 g/mol. Its IUPAC name is 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone.

Molecular Properties

• Compound Name: 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone
• PubChem CID: 159232467
• Molecular Formula: C112H130F2N28O13S9
• Molecular Weight: 2403.05 g/mol
• Exact Mass: 2400.78
• IUPAC Name: 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone
• SMILES: C=S1(=O)CCC(CNC(=O)c2sc3nnc(C)c(C)c3c2N)C1.C=S1(=O)CCC(CNC(=O)c2sc3nnc(C)c(C)c3c2N)CC1.Cc1cccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC4(C3)CN(C(=O)C3CCCC3)C4)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4(CN(C(=O)c5ccccc5)C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C
• InChI: InChI=1S/C21H21N5O2S.C20H21F2N5O3S2.C20H25N5O2S.C20H21N5O2S.C16H22N4O2S2.C15H20N4O2S2/c1-12-13(2)23-24-18-15(12)16(22)17(29-18)20(28)26-10-21(11-26)8-25(9-21)19(27)14-6-4-3-5-7-14;1-10-11(2)25-26-19-15(10)16(23)17(31-19)18(28)24-13-8-27(9-13)32(29,30)14-6-4-12(5-7-14)20(3,21)22;1-11-12(2)22-23-17-14(11)15(21)16(28-17)19(27)25-9-20(10-25)7-24(8-20)18(26)13-5-3-4-6-13;1-10-5-4-6-13(7-10)20(27)25-8-14(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)28-17;1-9-10(2)19-20-16-12(9)13(17)14(23-16)15(21)18-8-11-4-6-24(3,22)7-5-11;1-8-9(2)18-19-15-11(8)12(16)13(22-15)14(20)17-6-10-4-5-23(3,21)7-10/h3-7H,8-11,22H2,1-2H3;4-7,13H,8-9,23H2,1-3H3,(H,24,28);13H,3-10,21H2,1-2H3;4-7,14H,8-9,21H2,1-3H3,(H,22,26);11H,3-8,17H2,1-2H3,(H,18,21);10H,3-7,16H2,1-2H3,(H,17,20)
• InChIKey: KTBSFPOITHNFAI-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 600.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.05
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone?

The IUPAC name of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone (CID 159232467) is 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone.

What is the SMILES notation for 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone?

The canonical SMILES for 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone is C=S1(=O)CCC(CNC(=O)c2sc3nnc(C)c(C)c3c2N)C1.C=S1(=O)CCC(CNC(=O)c2sc3nnc(C)c(C)c3c2N)CC1.Cc1cccc(C(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1.Cc1nnc2sc(C(=O)N3CC4(C3)CN(C(=O)C3CCCC3)C4)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CC4(CN(C(=O)c5ccccc5)C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccc(C(C)(F)F)cc4)C3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone?

The InChIKey is KTBSFPOITHNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S.C20H21F2N5O3S2.C20H25N5O2S.C20H21N5O2S.C16H22N4O2S2.C15H20N4O2S2/c1-12-13(2)23-24-18-15(12)16(22)17(29-18)20(28)26-10-21(11-26)8-25(9-21)19(27)14-6-4-3-5-7-14;1-10-11(2)25-26-19-15(10)16(23)17(31-19)18(28)24-13-8-27(9-13)32(29,30)14-6-4-12(5-7-14)20(3,21)22;1-11-12(2)22-23-17-14(11)15(21)16(28-17)19(27)25-9-20(10-25)7-24(8-20)18(26)13-5-3-4-6-13;1-10-5-4-6-13(7-10)20(27)25-8-14(9-25)22-18(26)17-16(21)15-11(2)12(3)23-24-19(15)28-17;1-9-10(2)19-20-16-12(9)13(17)14(23-16)15(21)18-8-11-4-6-24(3,22)7-5-11;1-8-9(2)18-19-15-11(8)12(16)13(22-15)14(20)17-6-10-4-5-23(3,21)7-10/h3-7H,8-11,22H2,1-2H3;4-7,13H,8-9,23H2,1-3H3,(H,24,28);13H,3-10,21H2,1-2H3;4-7,14H,8-9,21H2,1-3H3,(H,22,26);11H,3-8,17H2,1-2H3,(H,18,21);10H,3-7,16H2,1-2H3,(H,17,20).

What are the key properties of 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone?

5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone has a molecular weight of 2403.05 g/mol, XLogP of 13.21, 18 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(3-methylbenzoyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothian-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylidene-1-oxothiolan-3-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-cyclopentylmethanone;[2-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone is sourced from PubChem (CID 159232467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).