4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline

C24H20N8OS — CID 86292709

IUPAC4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C24H20N8OS/c1-30-12-16(9-26-30)15-4-7-22-28-29-24(32(22)14-15)34-18-5-6-21-19(8-18)23(33-3)20(11-25-21)17-10-27-31(2)13-17/h4-14H,1-3H3
InChIKeyHNSZCMOGJMXPCT-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.24
Rot. Bonds5

About 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline

4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline (PubChem CID 86292709) has the molecular formula C24H20N8OS and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline.

Molecular Properties

Compound Name4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
PubChem CID86292709
Molecular FormulaC24H20N8OS
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC Name4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C24H20N8OS/c1-30-12-16(9-26-30)15-4-7-22-28-29-24(32(22)14-15)34-18-5-6-21-19(8-18)23(33-3)20(11-25-21)17-10-27-31(2)13-17/h4-14H,1-3H3
InChIKeyHNSZCMOGJMXPCT-UHFFFAOYSA-N
XLogP4.24
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline?
The IUPAC name of 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline (CID 86292709) is 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline.
What is the SMILES notation for 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline?
The canonical SMILES for 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline is COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.
What is the InChIKey of 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline?
The InChIKey is HNSZCMOGJMXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8OS/c1-30-12-16(9-26-30)15-4-7-22-28-29-24(32(22)14-15)34-18-5-6-21-19(8-18)23(33-3)20(11-25-21)17-10-27-31(2)13-17/h4-14H,1-3H3.
What are the key properties of 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline?
4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline has a molecular weight of 468.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline is sourced from PubChem (CID 86292709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).