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

C25H19F3N8OS — CID 86292318

IUPAC3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC(F)(F)F)c5c4)n3c2)cn1
InChIInChI=1S/C25H19F3N8OS/c1-34-11-16(8-30-34)15-3-6-22-32-33-24(36(22)13-15)38-18-4-5-21-19(7-18)23(37-14-25(26,27)28)20(10-29-21)17-9-31-35(2)12-17/h3-13H,14H2,1-2H3
InChIKeyHMQPEBQXONLBNT-UHFFFAOYSA-N
MW536.54 g/mol
LogP5.17
Rot. Bonds6

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

3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 86292318) has the molecular formula C25H19F3N8OS and a molecular weight of 536.54 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
PubChem CID86292318
Molecular FormulaC25H19F3N8OS
Molecular Weight536.54 g/mol
Exact Mass536.14
IUPAC Name3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC(F)(F)F)c5c4)n3c2)cn1
InChIInChI=1S/C25H19F3N8OS/c1-34-11-16(8-30-34)15-3-6-22-32-33-24(36(22)13-15)38-18-4-5-21-19(7-18)23(37-14-25(26,27)28)20(10-29-21)17-9-31-35(2)12-17/h3-13H,14H2,1-2H3
InChIKeyHMQPEBQXONLBNT-UHFFFAOYSA-N
XLogP5.17
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline (CID 86292318) is 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline is Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC(F)(F)F)c5c4)n3c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is HMQPEBQXONLBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N8OS/c1-34-11-16(8-30-34)15-3-6-22-32-33-24(36(22)13-15)38-18-4-5-21-19(7-18)23(37-14-25(26,27)28)20(10-29-21)17-9-31-35(2)12-17/h3-13H,14H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 536.54 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 86292318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).