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

C24H24F2N6O — CID 146302006

IUPAC2-[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
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cccc4c3ccn4CC(=O)N(C)C)c1F)NC2(C)C
InChIInChI=1S/C24H24F2N6O/c1-13-28-29-23-24(2,3)27-17-11-16(25)20(21(26)22(17)32(13)23)15-7-6-8-18-14(15)9-10-31(18)12-19(33)30(4)5/h6-11,27H,12H2,1-5H3
InChIKeySGLOAKWZNYILLP-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.22
Rot. Bonds3

About 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

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 (PubChem CID 146302006) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID146302006
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2-[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
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cccc4c3ccn4CC(=O)N(C)C)c1F)NC2(C)C
InChIInChI=1S/C24H24F2N6O/c1-13-28-29-23-24(2,3)27-17-11-16(25)20(21(26)22(17)32(13)23)15-7-6-8-18-14(15)9-10-31(18)12-19(33)30(4)5/h6-11,27H,12H2,1-5H3
InChIKeySGLOAKWZNYILLP-UHFFFAOYSA-N
XLogP4.22
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2n1-c1c(cc(F)c(-c3cccc4c3ccn4CC(=O)N(C)C)c1F)NC2(C)C.
What is the InChIKey of 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?
The InChIKey is SGLOAKWZNYILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-13-28-29-23-24(2,3)27-17-11-16(25)20(21(26)22(17)32(13)23)15-7-6-8-18-14(15)9-10-31(18)12-19(33)30(4)5/h6-11,27H,12H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 450.49 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146302006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).