7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C25H26F3N5O2 — CID 153394832

IUPAC7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOCCn1ccc2c(-c3c(COC(F)F)cc4c(c3F)-n3c(C)nnc3C(C)(C)N4)cccc21
InChIInChI=1S/C25H26F3N5O2/c1-14-30-31-23-25(2,3)29-18-12-15(13-35-24(27)28)20(21(26)22(18)33(14)23)17-6-5-7-19-16(17)8-9-32(19)10-11-34-4/h5-9,12,24,29H,10-11,13H2,1-4H3
InChIKeyYVRVFRIQBHOCIO-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.38
Rot. Bonds7

About 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 153394832) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID153394832
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOCCn1ccc2c(-c3c(COC(F)F)cc4c(c3F)-n3c(C)nnc3C(C)(C)N4)cccc21
InChIInChI=1S/C25H26F3N5O2/c1-14-30-31-23-25(2,3)29-18-12-15(13-35-24(27)28)20(21(26)22(18)33(14)23)17-6-5-7-19-16(17)8-9-32(19)10-11-34-4/h5-9,12,24,29H,10-11,13H2,1-4H3
InChIKeyYVRVFRIQBHOCIO-UHFFFAOYSA-N
XLogP5.38
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[4-(methoxymethyl)-2-methylindol-1-yl]-1,2,4-triazin-5-amine
CID 124103303
8-(3,4-difluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136626665
8-(4,5-difluoro-2,3-dimethylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136626675
8-(4-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136626679
8-(4-fluoro-2-propan-2-ylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136626695
8-(3-fluoro-2-methylphenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136627178
8-(2-ethyl-4-fluorophenyl)-2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136627183
2-[5-(4-methylimidazol-1-yl)-1H-indol-2-yl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 136627206
2-[2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1,3-oxazole
CID 138664061
2-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1,3-oxazole
CID 138664065
7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146301999
2-[4-(7,9-difluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indol-1-yl]-N,N-dimethylacetamide
CID 146302006

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 153394832) is 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is COCCn1ccc2c(-c3c(COC(F)F)cc4c(c3F)-n3c(C)nnc3C(C)(C)N4)cccc21.
What is the InChIKey of 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is YVRVFRIQBHOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-14-30-31-23-25(2,3)29-18-12-15(13-35-24(27)28)20(21(26)22(18)33(14)23)17-6-5-7-19-16(17)8-9-32(19)10-11-34-4/h5-9,12,24,29H,10-11,13H2,1-4H3.
What are the key properties of 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 485.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxymethyl)-9-fluoro-8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 153394832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).