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

C20H15FN6 — CID 118732801

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline
SMILESCn1cc(-c2cc(F)c3nnc(Cc4ccc5ncccc5c4)n3c2)cn1
InChIInChI=1S/C20H15FN6/c1-26-11-16(10-23-26)15-9-17(21)20-25-24-19(27(20)12-15)8-13-4-5-18-14(7-13)3-2-6-22-18/h2-7,9-12H,8H2,1H3
InChIKeyRSYQUPWEDGBZLK-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.41
Rot. Bonds3

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

6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline (PubChem CID 118732801) has the molecular formula C20H15FN6 and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline
PubChem CID118732801
Molecular FormulaC20H15FN6
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline
SMILESCn1cc(-c2cc(F)c3nnc(Cc4ccc5ncccc5c4)n3c2)cn1
InChIInChI=1S/C20H15FN6/c1-26-11-16(10-23-26)15-9-17(21)20-25-24-19(27(20)12-15)8-13-4-5-18-14(7-13)3-2-6-22-18/h2-7,9-12H,8H2,1H3
InChIKeyRSYQUPWEDGBZLK-UHFFFAOYSA-N
XLogP3.41
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]methyl]quinoline?
The IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline (CID 118732801) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]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]methyl]quinoline?
The canonical SMILES for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline is Cn1cc(-c2cc(F)c3nnc(Cc4ccc5ncccc5c4)n3c2)cn1.
What is the InChIKey of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline?
The InChIKey is RSYQUPWEDGBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6/c1-26-11-16(10-23-26)15-9-17(21)20-25-24-19(27(20)12-15)8-13-4-5-18-14(7-13)3-2-6-22-18/h2-7,9-12H,8H2,1H3.
What are the key properties of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline?
6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline has a molecular weight of 358.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]methyl]quinoline is sourced from PubChem (CID 118732801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).