5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate

C109H118N30O10S7 — CID 157160889

About 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate

5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 157160889) has the molecular formula C109H118N30O10S7 and a molecular weight of 2232.81 g/mol. Its IUPAC name is 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
• PubChem CID: 157160889
• Molecular Formula: C109H118N30O10S7
• Molecular Weight: 2232.81 g/mol
• Exact Mass: 2230.77
• IUPAC Name: 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
• SMILES: Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccc1C#N.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.Cc1nnc2sc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4[nH]ccc4c3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C
• InChI: InChI=1S/C20H27N5O3S.C19H19N5OS.C18H21N5O3S2.2C18H17N5OS.C16H17N5OS/c1-11-12(2)22-23-16-13(11)14(21)15(29-16)17(26)24-7-6-20(8-24)9-25(10-20)18(27)28-19(3,4)5;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-10-11(2)21-22-18-14(10)15(19)16(27-18)17(24)20-9-12-5-7-13(8-6-12)28(25,26)23(3)4;1-9-10(2)22-23-18-14(9)15(19)16(25-18)17(24)21-8-11-3-4-13-12(7-11)5-6-20-13;1-9-6-12(4-5-13(9)7-19)8-21-17(24)16-15(20)14-10(2)11(3)22-23-18(14)25-16;1-8-6-11(4-5-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h6-10,21H2,1-5H3;4-8H,9,20H2,1-3H3,(H,21,25);5-8H,9,19H2,1-4H3,(H,20,24);3-7,20H,8,19H2,1-2H3,(H,21,24);4-6H,8,20H2,1-3H3,(H,21,24);4-6H,7,17H2,1-3H3,(H,19,22)
• InChIKey: AMJACZUPNNDJDN-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 600.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.81
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate?

The IUPAC name of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate (CID 157160889) is 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate is Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccc1C#N.Cc1cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)ccn1.Cc1nnc2sc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4[nH]ccc4c3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc4c(ccn4C)c3)c(N)c2c1C.

What is the InChIKey of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate?

The InChIKey is AMJACZUPNNDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S.C19H19N5OS.C18H21N5O3S2.2C18H17N5OS.C16H17N5OS/c1-11-12(2)22-23-16-13(11)14(21)15(29-16)17(26)24-7-6-20(8-24)9-25(10-20)18(27)28-19(3,4)5;1-10-11(2)22-23-19-15(10)16(20)17(26-19)18(25)21-9-12-4-5-14-13(8-12)6-7-24(14)3;1-10-11(2)21-22-18-14(10)15(19)16(27-18)17(24)20-9-12-5-7-13(8-6-12)28(25,26)23(3)4;1-9-10(2)22-23-18-14(9)15(19)16(25-18)17(24)21-8-11-3-4-13-12(7-11)5-6-20-13;1-9-6-12(4-5-13(9)7-19)8-21-17(24)16-15(20)14-10(2)11(3)22-23-18(14)25-16;1-8-6-11(4-5-18-8)7-19-15(22)14-13(17)12-9(2)10(3)20-21-16(12)23-14/h6-10,21H2,1-5H3;4-8H,9,20H2,1-3H3,(H,21,25);5-8H,9,19H2,1-4H3,(H,20,24);3-7,20H,8,19H2,1-2H3,(H,21,24);4-6H,8,20H2,1-3H3,(H,21,24);4-6H,7,17H2,1-3H3,(H,19,22).

What are the key properties of 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate?

5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 2232.81 g/mol, XLogP of 17.18, 18 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(4-cyano-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(1-methylindol-5-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(1H-indol-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;tert-butyl 7-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 157160889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).