1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide

C18H14F3N3O2S — CID 59089080

IUPAC1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
SMILESCn1ncc2c1-c1c(Oc3cccc(C(F)(F)F)c3)sc(C(N)=O)c1CC2
InChIInChI=1S/C18H14F3N3O2S/c1-24-14-9(8-23-24)5-6-12-13(14)17(27-15(12)16(22)25)26-11-4-2-3-10(7-11)18(19,20)21/h2-4,7-8H,5-6H2,1H3,(H2,22,25)
InChIKeyMUICLJCYNQPPLW-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.16
Rot. Bonds3

About 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide

1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide (PubChem CID 59089080) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
PubChem CID59089080
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
SMILESCn1ncc2c1-c1c(Oc3cccc(C(F)(F)F)c3)sc(C(N)=O)c1CC2
InChIInChI=1S/C18H14F3N3O2S/c1-24-14-9(8-23-24)5-6-12-13(14)17(27-15(12)16(22)25)26-11-4-2-3-10(7-11)18(19,20)21/h2-4,7-8H,5-6H2,1H3,(H2,22,25)
InChIKeyMUICLJCYNQPPLW-UHFFFAOYSA-N
XLogP4.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
The IUPAC name of 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide (CID 59089080) is 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide.
What is the SMILES notation for 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
The canonical SMILES for 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide is Cn1ncc2c1-c1c(Oc3cccc(C(F)(F)F)c3)sc(C(N)=O)c1CC2.
What is the InChIKey of 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
The InChIKey is MUICLJCYNQPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-24-14-9(8-23-24)5-6-12-13(14)17(27-15(12)16(22)25)26-11-4-2-3-10(7-11)18(19,20)21/h2-4,7-8H,5-6H2,1H3,(H2,22,25).
What are the key properties of 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide?
1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[3-(trifluoromethyl)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide is sourced from PubChem (CID 59089080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).