azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate

C42H48Cl2N6O4S2 — CID 161097172

IUPACazane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate
SMILESCCOC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.N.NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.O
InChIInChI=1S/C22H23ClN2O2S.C20H20ClN3OS.H3N.H2O/c1-2-27-22(26)20-21-17(13-19(28-21)15-8-10-16(23)11-9-15)18(24-25-20)12-14-6-4-3-5-7-14;21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17;;/h8-11,13-14H,2-7,12H2,1H3;6-9,11-12H,1-5,10H2,(H2,22,25);1H3;1H2
InChIKeyOWJQJZJRGRTGKI-UHFFFAOYSA-N
MW835.92 g/mol
LogP10.88
Rot. Bonds9

About azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate

azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate (PubChem CID 161097172) has the molecular formula C42H48Cl2N6O4S2 and a molecular weight of 835.92 g/mol. Its IUPAC name is azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate.

Molecular Properties

Compound Nameazane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate
PubChem CID161097172
Molecular FormulaC42H48Cl2N6O4S2
Molecular Weight835.92 g/mol
Exact Mass834.26
IUPAC Nameazane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate
SMILESCCOC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.N.NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.O
InChIInChI=1S/C22H23ClN2O2S.C20H20ClN3OS.H3N.H2O/c1-2-27-22(26)20-21-17(13-19(28-21)15-8-10-16(23)11-9-15)18(24-25-20)12-14-6-4-3-5-7-14;21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17;;/h8-11,13-14H,2-7,12H2,1H3;6-9,11-12H,1-5,10H2,(H2,22,25);1H3;1H2
InChIKeyOWJQJZJRGRTGKI-UHFFFAOYSA-N
XLogP10.88
TPSA187.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.92
LogP ≤ 510.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate with MolForge

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

Launch Full Analysis

Related Compounds

4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103172
2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
CID 143836312
ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;methylidenecyclohexane
CID 123201108
2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103194
3-(bromomethyl)-4H-pyran;2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;ethyl 2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxylate
CID 159425230
4-[(1-chloropiperidin-3-yl)methyl]-2-(3,5-dichlorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 89016986
2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
CID 122662388
2-(4-chlorophenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053442
2-(4-chlorophenyl)-4-[[(3R)-pyrrolidin-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 67053835
2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053408
ethyl 5-amino-2-(4-chlorophenyl)thieno[2,3-b]thiophene-4-carboxylate
CID 44514941
ethyl 2-(4-fluorophenyl)-4-oxo-5H-thieno[2,3-d]pyridazine-7-carboxylate
CID 58739134

Frequently Asked Questions

What is the IUPAC name of azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate?
The IUPAC name of azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate (CID 161097172) is azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate.
What is the SMILES notation for azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate?
The canonical SMILES for azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate is CCOC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.N.NC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12.O.
What is the InChIKey of azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate?
The InChIKey is OWJQJZJRGRTGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S.C20H20ClN3OS.H3N.H2O/c1-2-27-22(26)20-21-17(13-19(28-21)15-8-10-16(23)11-9-15)18(24-25-20)12-14-6-4-3-5-7-14;21-14-8-6-13(7-9-14)17-11-15-16(10-12-4-2-1-3-5-12)23-24-18(20(22)25)19(15)26-17;;/h8-11,13-14H,2-7,12H2,1H3;6-9,11-12H,1-5,10H2,(H2,22,25);1H3;1H2.
What are the key properties of azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate?
azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate has a molecular weight of 835.92 g/mol, XLogP of 10.88, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate is sourced from PubChem (CID 161097172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).