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

C22H21F2N5O — CID 146301999

IUPAC7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4cc[nH]c34)c1C)NC2(C)C
InChIInChI=1S/C22H21F2N5O/c1-11-18(14-8-13(23)7-12-5-6-25-19(12)14)15(24)9-16-20(11)29-17(10-30-4)27-28-21(29)22(2,3)26-16/h5-9,25-26H,10H2,1-4H3
InChIKeyHLIVQNCFPNZWIQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.81
Rot. Bonds3

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

7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146301999) has the molecular formula C22H21F2N5O and a molecular weight of 409.44 g/mol. Its IUPAC name is 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146301999
Molecular FormulaC22H21F2N5O
Molecular Weight409.44 g/mol
Exact Mass409.17
IUPAC Name7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4cc[nH]c34)c1C)NC2(C)C
InChIInChI=1S/C22H21F2N5O/c1-11-18(14-8-13(23)7-12-5-6-25-19(12)14)15(24)9-16-20(11)29-17(10-30-4)27-28-21(29)22(2,3)26-16/h5-9,25-26H,10H2,1-4H3
InChIKeyHLIVQNCFPNZWIQ-UHFFFAOYSA-N
XLogP4.81
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 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) is 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-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-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is COCc1nnc2n1-c1c(cc(F)c(-c3cc(F)cc4cc[nH]c34)c1C)NC2(C)C.
What is the InChIKey of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is HLIVQNCFPNZWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O/c1-11-18(14-8-13(23)7-12-5-6-25-19(12)14)15(24)9-16-20(11)29-17(10-30-4)27-28-21(29)22(2,3)26-16/h5-9,25-26H,10H2,1-4H3.
What are the key properties of 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 409.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1-(methoxymethyl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146301999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).