5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

C115H118F2N30O12S7 — CID 159127055

About 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide

5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (PubChem CID 159127055) has the molecular formula C115H118F2N30O12S7 and a molecular weight of 2376.88 g/mol. Its IUPAC name is 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• PubChem CID: 159127055
• Molecular Formula: C115H118F2N30O12S7
• Molecular Weight: 2376.88 g/mol
• Exact Mass: 2374.77
• IUPAC Name: 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide
• SMILES: COc1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)ccn1.Cc1cnc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)nc1.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5c(c4)OCO5)C3)c(N)c2c1C.[2H]C([2H])(NC(=O)c1sc2nnc(C)c(C)c2c1N)c1ccc(S(=O)(=O)C(C)F)cc1
• InChI: InChI=1S/C22H21N5OS.C20H19N5O4S.C19H20FN5OS.C19H20N4O2S.C18H19FN4O3S2.C17H19N7OS/c1-12-10-17(8-9-24-12)16-6-4-15(5-7-16)11-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-9-10(2)23-24-19-15(9)16(21)17(30-19)18(26)22-12-6-25(7-12)20(27)11-3-4-13-14(5-11)29-8-28-13;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-25-12-8-6-11(7-9-12)10-21-18(24)17-16(20)15-13-4-2-3-5-14(13)22-23-19(15)26-17;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-8-12-4-6-13(7-5-12)28(25,26)11(3)19;1-8-4-19-17(20-5-8)24-6-11(7-24)21-15(25)14-13(18)12-9(2)10(3)22-23-16(12)26-14/h4-10H,11,23H2,1-3H3,(H,25,28);3-5,12H,6-8,21H2,1-2H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);6-9H,2-5,10,20H2,1H3,(H,21,24);4-7,11H,8,20H2,1-3H3,(H,21,24);4-5,11H,6-7,18H2,1-3H3,(H,21,25)/i;;;;8D2
• InChIKey: KGKKWCHMCASOTJ-VNGOEETKSA-N
• XLogP: 16.71
• TPSA: 612.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.88
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The IUPAC name of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide (CID 159127055) is 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide.

What is the SMILES notation for 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The canonical SMILES for 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is COc1ccc(CNC(=O)c2sc3nnc4c(c3c2N)CCCC4)cc1.Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)ccn1.Cc1cnc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)nc1.Cc1nnc2sc(C(=O)NC3CCN(c4ccccc4F)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccc5c(c4)OCO5)C3)c(N)c2c1C.[2H]C([2H])(NC(=O)c1sc2nnc(C)c(C)c2c1N)c1ccc(S(=O)(=O)C(C)F)cc1.

What is the InChIKey of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

The InChIKey is KGKKWCHMCASOTJ-VNGOEETKSA-N. The full InChI is InChI=1S/C22H21N5OS.C20H19N5O4S.C19H20FN5OS.C19H20N4O2S.C18H19FN4O3S2.C17H19N7OS/c1-12-10-17(8-9-24-12)16-6-4-15(5-7-16)11-25-21(28)20-19(23)18-13(2)14(3)26-27-22(18)29-20;1-9-10(2)23-24-19-15(9)16(21)17(30-19)18(26)22-12-6-25(7-12)20(27)11-3-4-13-14(5-11)29-8-28-13;1-10-11(2)23-24-19-15(10)16(21)17(27-19)18(26)22-12-7-8-25(9-12)14-6-4-3-5-13(14)20;1-25-12-8-6-11(7-9-12)10-21-18(24)17-16(20)15-13-4-2-3-5-14(13)22-23-19(15)26-17;1-9-10(2)22-23-18-14(9)15(20)16(27-18)17(24)21-8-12-4-6-13(7-5-12)28(25,26)11(3)19;1-8-4-19-17(20-5-8)24-6-11(7-24)21-15(25)14-13(18)12-9(2)10(3)22-23-16(12)26-14/h4-10H,11,23H2,1-3H3,(H,25,28);3-5,12H,6-8,21H2,1-2H3,(H,22,26);3-6,12H,7-9,21H2,1-2H3,(H,22,26);6-9H,2-5,10,20H2,1H3,(H,21,24);4-7,11H,8,20H2,1-3H3,(H,21,24);4-5,11H,6-7,18H2,1-3H3,(H,21,25)/i;;;;8D2;.

What are the key properties of 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide?

5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide has a molecular weight of 2376.88 g/mol, XLogP of 16.71, 22 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[dideuterio-[4-(1-fluoroethylsulfonyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;1-amino-N-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydrothieno[2,3-c]cinnoline-2-carboxamide is sourced from PubChem (CID 159127055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).