4-(2-methoxyethyl)-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

C24H21N7O3S — CID 86292127

IUPAC4-(2-methoxyethyl)-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
SMILESCOCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21
InChIInChI=1S/C24H21N7O3S/c1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23-20(11-25-19)30(7-8-33-2)22(32)14-34-23/h3-6,9-13H,7-8,14H2,1-2H3
InChIKeyAMTZWSOKTLFGIU-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.20
Rot. Bonds6

About 4-(2-methoxyethyl)-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-(2-methoxyethyl)-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 86292127) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-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-(2-methoxyethyl)-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 CID86292127
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC Name4-(2-methoxyethyl)-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
SMILESCOCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21
InChIInChI=1S/C24H21N7O3S/c1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23-20(11-25-19)30(7-8-33-2)22(32)14-34-23/h3-6,9-13H,7-8,14H2,1-2H3
InChIKeyAMTZWSOKTLFGIU-UHFFFAOYSA-N
XLogP3.20
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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 86292127) is 4-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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 COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.
What is the InChIKey of 4-(2-methoxyethyl)-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 AMTZWSOKTLFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23-20(11-25-19)30(7-8-33-2)22(32)14-34-23/h3-6,9-13H,7-8,14H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-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-(2-methoxyethyl)-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 487.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-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 86292127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).