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

C25H22F3N5O2 — CID 46910143

IUPAC1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12
InChIInChI=1S/C25H22F3N5O2/c1-13-10-20-18(12-17(13)24(35)32-9-6-15-11-16(26)2-3-19(15)32)29-23(34)22-31-30-21(33(20)22)14-4-7-25(27,28)8-5-14/h2-3,10-12,14H,4-9H2,1H3,(H,29,34)
InChIKeyHZFWSJKSGUKXJL-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.51
Rot. Bonds2

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

1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 46910143) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID46910143
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12
InChIInChI=1S/C25H22F3N5O2/c1-13-10-20-18(12-17(13)24(35)32-9-6-15-11-16(26)2-3-19(15)32)29-23(34)22-31-30-21(33(20)22)14-4-7-25(27,28)8-5-14/h2-3,10-12,14H,4-9H2,1H3,(H,29,34)
InChIKeyHZFWSJKSGUKXJL-UHFFFAOYSA-N
XLogP4.51
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-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-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 46910143) is 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-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-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is HZFWSJKSGUKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-13-10-20-18(12-17(13)24(35)32-9-6-15-11-16(26)2-3-19(15)32)29-23(34)22-31-30-21(33(20)22)14-4-7-25(27,28)8-5-14/h2-3,10-12,14H,4-9H2,1H3,(H,29,34).
What are the key properties of 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 481.48 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 46910143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).