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

C24H19FN8OS — CID 86292510

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C24H19FN8OS/c1-31-11-15(8-27-31)14-6-20(25)23-29-30-24(33(23)13-14)35-17-4-5-21-18(7-17)22(34-3)19(10-26-21)16-9-28-32(2)12-16/h4-13H,1-3H3
InChIKeyZOPRCPOHVPWLAN-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.38
Rot. Bonds5

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

6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 86292510) has the molecular formula C24H19FN8OS and a molecular weight of 486.54 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID86292510
Molecular FormulaC24H19FN8OS
Molecular Weight486.54 g/mol
Exact Mass486.14
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12
InChIInChI=1S/C24H19FN8OS/c1-31-11-15(8-27-31)14-6-20(25)23-29-30-24(33(23)13-14)35-17-4-5-21-18(7-17)22(34-3)19(10-26-21)16-9-28-32(2)12-16/h4-13H,1-3H3
InChIKeyZOPRCPOHVPWLAN-UHFFFAOYSA-N
XLogP4.38
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline (CID 86292510) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline is COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12.
What is the InChIKey of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is ZOPRCPOHVPWLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8OS/c1-31-11-15(8-27-31)14-6-20(25)23-29-30-24(33(23)13-14)35-17-4-5-21-18(7-17)22(34-3)19(10-26-21)16-9-28-32(2)12-16/h4-13H,1-3H3.
What are the key properties of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline?
6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 486.54 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 86292510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).