9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one

C24H20FN7O3S — CID 86292128

IUPAC9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one
SMILESCOCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21
InChIInChI=1S/C24H20FN7O3S/c1-30-11-15(9-27-30)14-7-18(25)23-28-29-24(32(23)12-14)36-16-3-4-19-17(8-16)22-20(10-26-19)31(5-6-34-2)21(33)13-35-22/h3-4,7-12H,5-6,13H2,1-2H3
InChIKeyMQPZDWFLEKAFOY-UHFFFAOYSA-N
MW505.54 g/mol
LogP3.34
Rot. Bonds6

About 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one

9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one (PubChem CID 86292128) has the molecular formula C24H20FN7O3S and a molecular weight of 505.54 g/mol. Its IUPAC name is 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one.

Molecular Properties

Compound Name9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one
PubChem CID86292128
Molecular FormulaC24H20FN7O3S
Molecular Weight505.54 g/mol
Exact Mass505.13
IUPAC Name9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one
SMILESCOCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21
InChIInChI=1S/C24H20FN7O3S/c1-30-11-15(9-27-30)14-7-18(25)23-28-29-24(32(23)12-14)36-16-3-4-19-17(8-16)22-20(10-26-19)31(5-6-34-2)21(33)13-35-22/h3-4,7-12H,5-6,13H2,1-2H3
InChIKeyMQPZDWFLEKAFOY-UHFFFAOYSA-N
XLogP3.34
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one?
The IUPAC name of 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one (CID 86292128) is 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one.
What is the SMILES notation for 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one?
The canonical SMILES for 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one is COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.
What is the InChIKey of 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one?
The InChIKey is MQPZDWFLEKAFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3S/c1-30-11-15(9-27-30)14-7-18(25)23-28-29-24(32(23)12-14)36-16-3-4-19-17(8-16)22-20(10-26-19)31(5-6-34-2)21(33)13-35-22/h3-4,7-12H,5-6,13H2,1-2H3.
What are the key properties of 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one?
9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one has a molecular weight of 505.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one is sourced from PubChem (CID 86292128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).