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

C21H16F5N5 — CID 146302034

IUPAC7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cccc4c(C(F)(F)F)c[nH]c34)c1F)NC2(C)C
InChIInChI=1S/C21H16F5N5/c1-9-29-30-19-20(2,3)28-14-7-13(22)15(16(23)18(14)31(9)19)11-6-4-5-10-12(21(24,25)26)8-27-17(10)11/h4-8,27-28H,1-3H3
InChIKeyIKAVGNWBTRDIPL-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.68
Rot. Bonds1

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

7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146302034) has the molecular formula C21H16F5N5 and a molecular weight of 433.38 g/mol. Its IUPAC name is 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146302034
Molecular FormulaC21H16F5N5
Molecular Weight433.38 g/mol
Exact Mass433.13
IUPAC Name7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cccc4c(C(F)(F)F)c[nH]c34)c1F)NC2(C)C
InChIInChI=1S/C21H16F5N5/c1-9-29-30-19-20(2,3)28-14-7-13(22)15(16(23)18(14)31(9)19)11-6-4-5-10-12(21(24,25)26)8-27-17(10)11/h4-8,27-28H,1-3H3
InChIKeyIKAVGNWBTRDIPL-UHFFFAOYSA-N
XLogP5.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

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3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
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3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piperidin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10503687
3-(3-{4-[2-(3,5-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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((S)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
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Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146302034) is 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2n1-c1c(cc(F)c(-c3cccc4c(C(F)(F)F)c[nH]c34)c1F)NC2(C)C.
What is the InChIKey of 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is IKAVGNWBTRDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N5/c1-9-29-30-19-20(2,3)28-14-7-13(22)15(16(23)18(14)31(9)19)11-6-4-5-10-12(21(24,25)26)8-27-17(10)11/h4-8,27-28H,1-3H3.
What are the key properties of 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 433.38 g/mol, XLogP of 5.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146302034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).