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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate

C124H123N29O11S7 — CID 158748783

IUPAC5-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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)ccn1.Cc1nnc2sc(C(=O)N3CCC(NC(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NC(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)OCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccs4)cc3)c(N)c2c1C
InChIInChI=1S/C22H21N5OS.C21H23N5O3S.C21H19N5OS.C20H21N5O3S.C20H21N5O2S.C20H18N4OS2/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;1-12-13(2)24-25-20-16(12)17(22)18(30-20)19(27)23-15-8-9-26(10-15)21(28)29-11-14-6-4-3-5-7-14;1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-10-14-5-7-15(8-6-14)16-4-3-9-23-11-16;1-11-12(2)23-24-18-15(11)16(21)17(29-18)19(26)25-9-8-13(10-25)22-20(27)28-14-6-4-3-5-7-14;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13;1-11-12(2)23-24-20-16(11)17(21)18(27-20)19(25)22-10-13-5-7-14(8-6-13)15-4-3-9-26-15/h4-10H,11,23H2,1-3H3,(H,25,28);3-7,15H,8-11,22H2,1-2H3,(H,23,27);3-9,11H,10,22H2,1-2H3,(H,24,27);3-7,13H,8-10,21H2,1-2H3,(H,22,27);3-7,14H,8-10,21H2,1-2H3,(H,22,26);3-9H,10,21H2,1-2H3,(H,22,25)
InChIKeyINEYWOSYTRNCEG-UHFFFAOYSA-N
MW2420.01 g/mol
LogP21.08
Rot. Bonds22

About 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate

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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 158748783) has the molecular formula C124H123N29O11S7 and a molecular weight of 2420.01 g/mol. Its IUPAC name is 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name5-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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID158748783
Molecular FormulaC124H123N29O11S7
Molecular Weight2420.01 g/mol
Exact Mass2417.80
IUPAC Name5-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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)ccn1.Cc1nnc2sc(C(=O)N3CCC(NC(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NC(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)OCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccs4)cc3)c(N)c2c1C
InChIInChI=1S/C22H21N5OS.C21H23N5O3S.C21H19N5OS.C20H21N5O3S.C20H21N5O2S.C20H18N4OS2/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;1-12-13(2)24-25-20-16(12)17(22)18(30-20)19(27)23-15-8-9-26(10-15)21(28)29-11-14-6-4-3-5-7-14;1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-10-14-5-7-15(8-6-14)16-4-3-9-23-11-16;1-11-12(2)23-24-18-15(11)16(21)17(29-18)19(26)25-9-8-13(10-25)22-20(27)28-14-6-4-3-5-7-14;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13;1-11-12(2)23-24-20-16(11)17(21)18(27-20)19(25)22-10-13-5-7-14(8-6-13)15-4-3-9-26-15/h4-10H,11,23H2,1-3H3,(H,25,28);3-7,15H,8-11,22H2,1-2H3,(H,23,27);3-9,11H,10,22H2,1-2H3,(H,24,27);3-7,13H,8-10,21H2,1-2H3,(H,22,27);3-7,14H,8-10,21H2,1-2H3,(H,22,26);3-9H,10,21H2,1-2H3,(H,22,25)
InChIKeyINEYWOSYTRNCEG-UHFFFAOYSA-N
XLogP21.08
TPSA590.57 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds22
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002420.01
LogP ≤ 521.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate (CID 158748783) is 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate is Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)ccn1.Cc1nnc2sc(C(=O)N3CCC(NC(=O)Oc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)N3CCC(NC(=O)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CCN(C(=O)OCc4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccc(-c4cccs4)cc3)c(N)c2c1C.
What is the InChIKey of 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is INEYWOSYTRNCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS.C21H23N5O3S.C21H19N5OS.C20H21N5O3S.C20H21N5O2S.C20H18N4OS2/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;1-12-13(2)24-25-20-16(12)17(22)18(30-20)19(27)23-15-8-9-26(10-15)21(28)29-11-14-6-4-3-5-7-14;1-12-13(2)25-26-21-17(12)18(22)19(28-21)20(27)24-10-14-5-7-15(8-6-14)16-4-3-9-23-11-16;1-11-12(2)23-24-18-15(11)16(21)17(29-18)19(26)25-9-8-13(10-25)22-20(27)28-14-6-4-3-5-7-14;1-11-12(2)23-24-19-15(11)16(21)17(28-19)20(27)25-9-8-14(10-25)22-18(26)13-6-4-3-5-7-13;1-11-12(2)23-24-20-16(11)17(21)18(27-20)19(25)22-10-13-5-7-14(8-6-13)15-4-3-9-26-15/h4-10H,11,23H2,1-3H3,(H,25,28);3-7,15H,8-11,22H2,1-2H3,(H,23,27);3-9,11H,10,22H2,1-2H3,(H,24,27);3-7,13H,8-10,21H2,1-2H3,(H,22,27);3-7,14H,8-10,21H2,1-2H3,(H,22,26);3-9H,10,21H2,1-2H3,(H,22,25).
What are the key properties of 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate?
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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 2420.01 g/mol, XLogP of 21.08, 22 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]benzamide;5-amino-3,4-dimethyl-N-[(4-thiophen-2-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;benzyl 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidine-1-carboxylate;phenyl N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 158748783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).