ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate

C19H17FN2O3S — CID 70033556

IUPACethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
SMILESCCOC(=O)c1sc(Oc2ccc(F)cc2)c2c1CCc1cnn(C)c1-2
InChIInChI=1S/C19H17FN2O3S/c1-3-24-18(23)17-14-9-4-11-10-21-22(2)16(11)15(14)19(26-17)25-13-7-5-12(20)6-8-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyXXKAYKQOLOLBQE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.36
Rot. Bonds4

About ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate

ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate (PubChem CID 70033556) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
PubChem CID70033556
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Nameethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
SMILESCCOC(=O)c1sc(Oc2ccc(F)cc2)c2c1CCc1cnn(C)c1-2
InChIInChI=1S/C19H17FN2O3S/c1-3-24-18(23)17-14-9-4-11-10-21-22(2)16(11)15(14)19(26-17)25-13-7-5-12(20)6-8-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyXXKAYKQOLOLBQE-UHFFFAOYSA-N
XLogP4.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-(4-acetyl-3-methoxyphenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
CID 70031123
8-(4-formylphenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
CID 59089023
2-[4-[(6-carbamoyl-1-methyl-4,5-dihydrothieno[3,4-g]indazol-8-yl)oxy]phenyl]ethylphosphonic acid
CID 59089007
ethyl 1-methyl-8-[(6-morpholin-4-ylsulfonyl-1,3-benzodioxol-5-yl)oxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
CID 70034881
ethyl 8-(4-methylphenoxy)-4,5-dihydro-1H-thieno[3,4-g]indazol-1-ium-6-carboxylate
CID 142089073
ethyl (5E)-5-(ethoxymethylidene)-3-(4-methylphenoxy)-4-oxo-6,7-dihydro-2-benzothiophene-1-carboxylate
CID 70034707
ethyl 1-benzyl-8-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
CID 70031378
8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide;8-(2-methoxyethoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylic acid
CID 159575713
8-[(6-chloro-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxylic acid;ethyl 8-[(6-chloro-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxylate
CID 158733709
ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
CID 70031057
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride
CID 10198963

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
The IUPAC name of ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate (CID 70033556) is ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate.
What is the SMILES notation for ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
The canonical SMILES for ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate is CCOC(=O)c1sc(Oc2ccc(F)cc2)c2c1CCc1cnn(C)c1-2.
What is the InChIKey of ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
The InChIKey is XXKAYKQOLOLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-3-24-18(23)17-14-9-4-11-10-21-22(2)16(11)15(14)19(26-17)25-13-7-5-12(20)6-8-13/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4-fluorophenoxy)-1-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate is sourced from PubChem (CID 70033556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).