1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C24H21F2N5O2 — CID 46910145

IUPAC1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)c(F)cc31)[nH]c(=O)c1nnc(C3CCCC3)n12
InChIInChI=1S/C24H21F2N5O2/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-4-2-3-5-13)10-15(12)24(33)30-7-6-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32)
InChIKeyAFTBGUYBFAPHSG-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.02
Rot. Bonds2

About 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 46910145) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID46910145
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)c(F)cc31)[nH]c(=O)c1nnc(C3CCCC3)n12
InChIInChI=1S/C24H21F2N5O2/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-4-2-3-5-13)10-15(12)24(33)30-7-6-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32)
InChIKeyAFTBGUYBFAPHSG-UHFFFAOYSA-N
XLogP4.02
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one 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 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 46910145) is 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(F)c(F)cc31)[nH]c(=O)c1nnc(C3CCCC3)n12.
What is the InChIKey of 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is AFTBGUYBFAPHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-4-2-3-5-13)10-15(12)24(33)30-7-6-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32).
What are the key properties of 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 449.46 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 46910145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).