ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate

C27H26N4O6S2 — CID 4187328

IUPACethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)scc12
InChIInChI=1S/C27H26N4O6S2/c1-2-37-27(34)23-21-17-38-25(22(21)26(33)31(29-23)19-9-5-3-6-10-19)28-24(32)18-11-13-20(14-12-18)39(35,36)30-15-7-4-8-16-30/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3,(H,28,32)
InChIKeyOILOGSIVNSJYOW-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.05
Rot. Bonds7

About ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate

ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate (PubChem CID 4187328) has the molecular formula C27H26N4O6S2 and a molecular weight of 566.66 g/mol. Its IUPAC name is ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
PubChem CID4187328
Molecular FormulaC27H26N4O6S2
Molecular Weight566.66 g/mol
Exact Mass566.13
IUPAC Nameethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)scc12
InChIInChI=1S/C27H26N4O6S2/c1-2-37-27(34)23-21-17-38-25(22(21)26(33)31(29-23)19-9-5-3-6-10-19)28-24(32)18-11-13-20(14-12-18)39(35,36)30-15-7-4-8-16-30/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3,(H,28,32)
InChIKeyOILOGSIVNSJYOW-UHFFFAOYSA-N
XLogP4.05
TPSA127.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate 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

ethyl 3-(2-fluorophenyl)-4-oxo-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 44892909
ethyl 5-benzamido-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3639936
ethyl 5-[(3,5-dimethoxybenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3648273
ethyl 5-(2-methylpropanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3616121
ethyl 4-oxo-3-phenyl-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate
CID 4137938
ethyl 5-[(2-bromobenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3361829
ethyl 4-oxo-3-phenyl-5-(phenylcarbamoylamino)thieno[3,4-d]pyridazine-1-carboxylate
CID 4569634
ethyl 4-oxo-3-phenyl-5-[(2-phenylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 4076412
ethyl 5-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 55642731
ethyl 4-oxo-5-[(2-phenoxyacetyl)amino]-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 4181907
ethyl 5-[(3,5-dimethylbenzoyl)amino]-3-(3-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16819096
ethyl 4-oxo-3-phenyl-5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 121030864

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate?
The IUPAC name of ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate (CID 4187328) is ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate?
The canonical SMILES for ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)scc12.
What is the InChIKey of ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate?
The InChIKey is OILOGSIVNSJYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O6S2/c1-2-37-27(34)23-21-17-38-25(22(21)26(33)31(29-23)19-9-5-3-6-10-19)28-24(32)18-11-13-20(14-12-18)39(35,36)30-15-7-4-8-16-30/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3,(H,28,32).
What are the key properties of ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate?
ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate has a molecular weight of 566.66 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate is sourced from PubChem (CID 4187328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).