N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide

C23H21F3N6O5S — CID 71566188

IUPACN-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccc(-c2noc(C3CC3)n2)nc1)C(F)(F)F
InChIInChI=1S/C23H21F3N6O5S/c1-35-10-11-38(33,34)32-20-22(29-16-5-3-2-4-15(16)28-20)36-18(23(24,25)26)14-8-9-17(27-12-14)19-30-21(37-31-19)13-6-7-13/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,28,32)
InChIKeyXSRKYTPZYVMQDV-UHFFFAOYSA-N
MW550.52 g/mol
LogP4.02
Rot. Bonds10

About N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide

N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide (PubChem CID 71566188) has the molecular formula C23H21F3N6O5S and a molecular weight of 550.52 g/mol. Its IUPAC name is N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide
PubChem CID71566188
Molecular FormulaC23H21F3N6O5S
Molecular Weight550.52 g/mol
Exact Mass550.12
IUPAC NameN-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccc(-c2noc(C3CC3)n2)nc1)C(F)(F)F
InChIInChI=1S/C23H21F3N6O5S/c1-35-10-11-38(33,34)32-20-22(29-16-5-3-2-4-15(16)28-20)36-18(23(24,25)26)14-8-9-17(27-12-14)19-30-21(37-31-19)13-6-7-13/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,28,32)
InChIKeyXSRKYTPZYVMQDV-UHFFFAOYSA-N
XLogP4.02
TPSA142.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-methoxy-N-[3-[2,2,2-trifluoro-1-[6-(2-methylpyrazol-3-yl)-3-pyridinyl]ethoxy]quinoxalin-2-yl]ethanesulfonamide
CID 71294195
2-methoxy-N-[3-[2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethoxy]quinoxalin-2-yl]ethanesulfonamide
CID 71294064
N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide
CID 67402942
3,5-difluoro-4-[(4-methoxyphenyl)methoxy]-N-[[4-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methyl]benzamide
CID 171469223
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
CID 146425401
N-(cyclopropylsulfamoyl)-3-[2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethoxy]quinoxalin-2-amine
CID 67402268
5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 57392511
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552019

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide (CID 71566188) is N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccc(-c2noc(C3CC3)n2)nc1)C(F)(F)F.
What is the InChIKey of N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide?
The InChIKey is XSRKYTPZYVMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O5S/c1-35-10-11-38(33,34)32-20-22(29-16-5-3-2-4-15(16)28-20)36-18(23(24,25)26)14-8-9-17(27-12-14)19-30-21(37-31-19)13-6-7-13/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,28,32).
What are the key properties of N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide?
N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide has a molecular weight of 550.52 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-2,2,2-trifluoroethoxy]quinoxalin-2-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 71566188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).