4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

C84H76N12O4S6 — CID 159036351

IUPAC4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccsc4)nnc(C(=O)N(C)C)c3s2)cc1
InChIInChI=1S/C22H21N3OS.C21H19N3OS2.C21H19N3OS.C20H17N3OS2/c1-14-8-10-16(11-9-14)19-13-17-18(12-15-6-4-5-7-15)23-24-20(21(17)27-19)22(26)25(2)3;1-13-4-6-15(7-5-13)18-11-16-17(10-14-8-9-26-12-14)22-23-19(20(16)27-18)21(25)24(2)3;1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-4-6-14)23-24-19(20(16)26-18)21(25)22-2;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2/h4,6-11,13H,5,12H2,1-3H3;4-9,11-12H,10H2,1-3H3;3,5-10,12H,4,11H2,1-2H3,(H,22,25);3-8,10-11H,9H2,1-2H3,(H,21,24)
InChIKeyJVMSGQRHLHNZTD-UHFFFAOYSA-N
MW1510.01 g/mol
LogP18.95
Rot. Bonds16

About 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 159036351) has the molecular formula C84H76N12O4S6 and a molecular weight of 1510.01 g/mol. Its IUPAC name is 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID159036351
Molecular FormulaC84H76N12O4S6
Molecular Weight1510.01 g/mol
Exact Mass1508.44
IUPAC Name4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccsc4)nnc(C(=O)N(C)C)c3s2)cc1
InChIInChI=1S/C22H21N3OS.C21H19N3OS2.C21H19N3OS.C20H17N3OS2/c1-14-8-10-16(11-9-14)19-13-17-18(12-15-6-4-5-7-15)23-24-20(21(17)27-19)22(26)25(2)3;1-13-4-6-15(7-5-13)18-11-16-17(10-14-8-9-26-12-14)22-23-19(20(16)27-18)21(25)24(2)3;1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-4-6-14)23-24-19(20(16)26-18)21(25)22-2;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2/h4,6-11,13H,5,12H2,1-3H3;4-9,11-12H,10H2,1-3H3;3,5-10,12H,4,11H2,1-2H3,(H,22,25);3-8,10-11H,9H2,1-2H3,(H,21,24)
InChIKeyJVMSGQRHLHNZTD-UHFFFAOYSA-N
XLogP18.95
TPSA201.94 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.01
LogP ≤ 518.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide 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 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 159036351) is 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(C)cc3)sc12.CNC(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(C)cc3)sc12.Cc1ccc(-c2cc3c(CC4=CCC=C4)nnc(C(=O)N(C)C)c3s2)cc1.Cc1ccc(-c2cc3c(Cc4ccsc4)nnc(C(=O)N(C)C)c3s2)cc1.
What is the InChIKey of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is JVMSGQRHLHNZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS.C21H19N3OS2.C21H19N3OS.C20H17N3OS2/c1-14-8-10-16(11-9-14)19-13-17-18(12-15-6-4-5-7-15)23-24-20(21(17)27-19)22(26)25(2)3;1-13-4-6-15(7-5-13)18-11-16-17(10-14-8-9-26-12-14)22-23-19(20(16)27-18)21(25)24(2)3;1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-4-6-14)23-24-19(20(16)26-18)21(25)22-2;1-12-3-5-14(6-4-12)17-10-15-16(9-13-7-8-25-11-13)22-23-18(19(15)26-17)20(24)21-2/h4,6-11,13H,5,12H2,1-3H3;4-9,11-12H,10H2,1-3H3;3,5-10,12H,4,11H2,1-2H3,(H,22,25);3-8,10-11H,9H2,1-2H3,(H,21,24).
What are the key properties of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 1510.01 g/mol, XLogP of 18.95, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide;N,N-dimethyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;N-methyl-2-(4-methylphenyl)-4-(thiophen-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 159036351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).