3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one

C23H18FN7O3S — CID 86291929

IUPAC3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one
SMILESCOc1c(N2CCOC2=O)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C23H18FN7O3S/c1-29-11-14(9-26-29)13-7-17(24)21-27-28-22(31(21)12-13)35-15-3-4-18-16(8-15)20(33-2)19(10-25-18)30-5-6-34-23(30)32/h3-4,7-12H,5-6H2,1-2H3
InChIKeyUHXOKDGSEBQOOK-UHFFFAOYSA-N
MW491.51 g/mol
LogP3.93
Rot. Bonds5

About 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one

3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 86291929) has the molecular formula C23H18FN7O3S and a molecular weight of 491.51 g/mol. Its IUPAC name is 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one
PubChem CID86291929
Molecular FormulaC23H18FN7O3S
Molecular Weight491.51 g/mol
Exact Mass491.12
IUPAC Name3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one
SMILESCOc1c(N2CCOC2=O)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C23H18FN7O3S/c1-29-11-14(9-26-29)13-7-17(24)21-27-28-22(31(21)12-13)35-15-3-4-18-16(8-15)20(33-2)19(10-25-18)30-5-6-34-23(30)32/h3-4,7-12H,5-6H2,1-2H3
InChIKeyUHXOKDGSEBQOOK-UHFFFAOYSA-N
XLogP3.93
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-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 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one (CID 86291929) is 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one is COc1c(N2CCOC2=O)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12.
What is the InChIKey of 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is UHXOKDGSEBQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O3S/c1-29-11-14(9-26-29)13-7-17(24)21-27-28-22(31(21)12-13)35-15-3-4-18-16(8-15)20(33-2)19(10-25-18)30-5-6-34-23(30)32/h3-4,7-12H,5-6H2,1-2H3.
What are the key properties of 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one?
3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 491.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxyquinolin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86291929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).