7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C20H16F3N5 — CID 146302083

IUPAC7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4[nH]ccc34)c1F)NC2(C)C
InChIInChI=1S/C20H16F3N5/c1-9-26-27-19-20(2,3)25-15-8-13(22)16(17(23)18(15)28(9)19)12-6-10(21)7-14-11(12)4-5-24-14/h4-8,24-25H,1-3H3
InChIKeyWLEJAFLOXYNGFO-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.80
Rot. Bonds1

About 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146302083) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146302083
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4[nH]ccc34)c1F)NC2(C)C
InChIInChI=1S/C20H16F3N5/c1-9-26-27-19-20(2,3)25-15-8-13(22)16(17(23)18(15)28(9)19)12-6-10(21)7-14-11(12)4-5-24-14/h4-8,24-25H,1-3H3
InChIKeyWLEJAFLOXYNGFO-UHFFFAOYSA-N
XLogP4.80
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146302083) is 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4[nH]ccc34)c1F)NC2(C)C.
What is the InChIKey of 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is WLEJAFLOXYNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-9-26-27-19-20(2,3)25-15-8-13(22)16(17(23)18(15)28(9)19)12-6-10(21)7-14-11(12)4-5-24-14/h4-8,24-25H,1-3H3.
What are the key properties of 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 383.38 g/mol, XLogP of 4.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-8-(6-fluoro-1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146302083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).