4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline

C25H22N8O2S — CID 86292710

IUPAC4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(OC)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C25H22N8O2S/c1-31-12-16(9-27-31)15-7-22(34-3)24-29-30-25(33(24)14-15)36-18-5-6-21-19(8-18)23(35-4)20(11-26-21)17-10-28-32(2)13-17/h5-14H,1-4H3
InChIKeyJNZUYVACHGWVSP-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.25
Rot. Bonds6

About 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline

4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 86292710) has the molecular formula C25H22N8O2S and a molecular weight of 498.57 g/mol. Its IUPAC name is 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID86292710
Molecular FormulaC25H22N8O2S
Molecular Weight498.57 g/mol
Exact Mass498.16
IUPAC Name4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(OC)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C25H22N8O2S/c1-31-12-16(9-27-31)15-7-22(34-3)24-29-30-25(33(24)14-15)36-18-5-6-21-19(8-18)23(35-4)20(11-26-21)17-10-28-32(2)13-17/h5-14H,1-4H3
InChIKeyJNZUYVACHGWVSP-UHFFFAOYSA-N
XLogP4.25
TPSA97.18 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline (CID 86292710) is 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline is COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(OC)cc(-c5cnn(C)c5)cn34)cc12.
What is the InChIKey of 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is JNZUYVACHGWVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2S/c1-31-12-16(9-27-31)15-7-22(34-3)24-29-30-25(33(24)14-15)36-18-5-6-21-19(8-18)23(35-4)20(11-26-21)17-10-28-32(2)13-17/h5-14H,1-4H3.
What are the key properties of 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline?
4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 498.57 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 86292710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).