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

C22H17N7O2S — CID 86291933

IUPAC4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one
SMILESCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21
InChIInChI=1S/C22H17N7O2S/c1-27-10-14(8-24-27)13-3-6-19-25-26-22(29(19)11-13)32-15-4-5-17-16(7-15)21-18(9-23-17)28(2)20(30)12-31-21/h3-11H,12H2,1-2H3
InChIKeyCGXIXBIPOPIDFO-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.18
Rot. Bonds3

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

4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one (PubChem CID 86291933) has the molecular formula C22H17N7O2S and a molecular weight of 443.49 g/mol. Its IUPAC name is 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one.

Molecular Properties

Compound Name4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one
PubChem CID86291933
Molecular FormulaC22H17N7O2S
Molecular Weight443.49 g/mol
Exact Mass443.12
IUPAC Name4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one
SMILESCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21
InChIInChI=1S/C22H17N7O2S/c1-27-10-14(8-24-27)13-3-6-19-25-26-22(29(19)11-13)32-15-4-5-17-16(7-15)21-18(9-23-17)28(2)20(30)12-31-21/h3-11H,12H2,1-2H3
InChIKeyCGXIXBIPOPIDFO-UHFFFAOYSA-N
XLogP3.18
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one?
The IUPAC name of 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one (CID 86291933) is 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one.
What is the SMILES notation for 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one?
The canonical SMILES for 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one is CN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.
What is the InChIKey of 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one?
The InChIKey is CGXIXBIPOPIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O2S/c1-27-10-14(8-24-27)13-3-6-19-25-26-22(29(19)11-13)32-15-4-5-17-16(7-15)21-18(9-23-17)28(2)20(30)12-31-21/h3-11H,12H2,1-2H3.
What are the key properties of 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one?
4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one has a molecular weight of 443.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one is sourced from PubChem (CID 86291933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).