ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

C19H22N4O2S — CID 51039335

IUPACethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-n3nc(C)cc3C)c3c(c2c1N)CCCC3
InChIInChI=1S/C19H22N4O2S/c1-4-25-19(24)16-15(20)14-12-7-5-6-8-13(12)17(21-18(14)26-16)23-11(3)9-10(2)22-23/h9H,4-8,20H2,1-3H3
InChIKeyCNSIGPDUJMFTNJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.74
Rot. Bonds3

About ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate (PubChem CID 51039335) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
PubChem CID51039335
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Nameethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-n3nc(C)cc3C)c3c(c2c1N)CCCC3
InChIInChI=1S/C19H22N4O2S/c1-4-25-19(24)16-15(20)14-12-7-5-6-8-13(12)17(21-18(14)26-16)23-11(3)9-10(2)22-23/h9H,4-8,20H2,1-3H3
InChIKeyCNSIGPDUJMFTNJ-UHFFFAOYSA-N
XLogP3.74
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-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

1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 51039336
ethyl 1-amino-5-propyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 914223
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
methyl 1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 915749
ethyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1069989
ethyl 4-[2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 134158151
ethyl 3-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1390732
ethyl 5-amino-1-propyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 23940861
ethyl 3-amino-8,12,12-trimethyl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-4-carboxylate
CID 916996
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
CID 170860038
ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 10358756

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The IUPAC name of ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate (CID 51039335) is ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The canonical SMILES for ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is CCOC(=O)c1sc2nc(-n3nc(C)cc3C)c3c(c2c1N)CCCC3.
What is the InChIKey of ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The InChIKey is CNSIGPDUJMFTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-4-25-19(24)16-15(20)14-12-7-5-6-8-13(12)17(21-18(14)26-16)23-11(3)9-10(2)22-23/h9H,4-8,20H2,1-3H3.
What are the key properties of ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate has a molecular weight of 370.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-5-(3,5-dimethylpyrazol-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is sourced from PubChem (CID 51039335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).