7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C43H40F4N10 — CID 146302182

IUPAC7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1c(-c2cc(F)cc3c(C)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C22H21F2N5.C21H19F2N5/c1-10-9-25-19-14(10)6-13(23)7-15(19)18-11(2)20-17(8-16(18)24)26-22(4,5)21-28-27-12(3)29(20)21;1-10-17(14-8-13(22)7-12-5-6-24-18(12)14)15(23)9-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16/h6-9,25-26H,1-5H3;5-9,24-25H,1-4H3
InChIKeyOPCSIGFTZALDQU-UHFFFAOYSA-N
MW772.86 g/mol
LogP10.25
Rot. Bonds2

About 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146302182) has the molecular formula C43H40F4N10 and a molecular weight of 772.86 g/mol. Its IUPAC name is 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146302182
Molecular FormulaC43H40F4N10
Molecular Weight772.86 g/mol
Exact Mass772.34
IUPAC Name7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1c(-c2cc(F)cc3c(C)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C22H21F2N5.C21H19F2N5/c1-10-9-25-19-14(10)6-13(23)7-15(19)18-11(2)20-17(8-16(18)24)26-22(4,5)21-28-27-12(3)29(20)21;1-10-17(14-8-13(22)7-12-5-6-24-18(12)14)15(23)9-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16/h6-9,25-26H,1-5H3;5-9,24-25H,1-4H3
InChIKeyOPCSIGFTZALDQU-UHFFFAOYSA-N
XLogP10.25
TPSA117.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.86
LogP ≤ 510.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146302182) is 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1c(-c2cc(F)cc3c(C)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.
What is the InChIKey of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is OPCSIGFTZALDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5.C21H19F2N5/c1-10-9-25-19-14(10)6-13(23)7-15(19)18-11(2)20-17(8-16(18)24)26-22(4,5)21-28-27-12(3)29(20)21;1-10-17(14-8-13(22)7-12-5-6-24-18(12)14)15(23)9-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16/h6-9,25-26H,1-5H3;5-9,24-25H,1-4H3.
What are the key properties of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 772.86 g/mol, XLogP of 10.25, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146302182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).