methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate

C18H17N3O5S — CID 1008364

IUPACmethyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(C)=O)sc(C)c12
InChIInChI=1S/C18H17N3O5S/c1-9-13-14(16(27-9)19-10(2)22)17(23)21(20-15(13)18(24)26-4)11-5-7-12(25-3)8-6-11/h5-8H,1-4H3,(H,19,22)
InChIKeyQHCIQKVDKUHXPS-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.51
Rot. Bonds4

About methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate

methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate (PubChem CID 1008364) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
PubChem CID1008364
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Namemethyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(C)=O)sc(C)c12
InChIInChI=1S/C18H17N3O5S/c1-9-13-14(16(27-9)19-10(2)22)17(23)21(20-15(13)18(24)26-4)11-5-7-12(25-3)8-6-11/h5-8H,1-4H3,(H,19,22)
InChIKeyQHCIQKVDKUHXPS-UHFFFAOYSA-N
XLogP2.51
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[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

methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 2814245
methyl 7-methyl-3-(4-methylphenyl)-4-oxo-5-[[(1Z,4E)-3-oxo-5-phenylpenta-1,4-dienyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 11605485
ethyl 5-acetamido-3-(3-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 7502080
ethyl 3-(4-methoxyphenyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 4600424
methyl 5-cyano-4-ethyl-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate
CID 2814242
ethyl 3-(4-methoxyphenyl)-4-oxo-5-[[(E)-3-phenylprop-2-enoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 6031596
ethyl 3-(4-methoxyphenyl)-5-[[2-(3-methylphenyl)acetyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 5059776
ethyl 5-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 4188854
ethyl 3-(4-methoxyphenyl)-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 3333364
ethyl 5-[(3-chlorobenzoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 4570314
[5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazin-1-yl]carbamic acid
CID 22112742
ethyl 5-(ethoxycarbonylamino)-3-(3-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 7502087

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
The IUPAC name of methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate (CID 1008364) is methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
What is the SMILES notation for methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
The canonical SMILES for methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate is COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(C)=O)sc(C)c12.
What is the InChIKey of methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
The InChIKey is QHCIQKVDKUHXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-9-13-14(16(27-9)19-10(2)22)17(23)21(20-15(13)18(24)26-4)11-5-7-12(25-3)8-6-11/h5-8H,1-4H3,(H,19,22).
What are the key properties of methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate?
methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-3-(4-methoxyphenyl)-7-methyl-4-oxothieno[3,4-d]pyridazine-1-carboxylate is sourced from PubChem (CID 1008364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).