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

C19H14FN7 — CID 118732803

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline
SMILESCn1cc(-c2cc(F)c3nnc(Cc4ccc5nccnc5c4)n3c2)cn1
InChIInChI=1S/C19H14FN7/c1-26-10-14(9-23-26)13-8-15(20)19-25-24-18(27(19)11-13)7-12-2-3-16-17(6-12)22-5-4-21-16/h2-6,8-11H,7H2,1H3
InChIKeyOOPMTQUFLBFANM-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.80
Rot. Bonds3

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

6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline (PubChem CID 118732803) has the molecular formula C19H14FN7 and a molecular weight of 359.37 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]quinoxaline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline
PubChem CID118732803
Molecular FormulaC19H14FN7
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline
SMILESCn1cc(-c2cc(F)c3nnc(Cc4ccc5nccnc5c4)n3c2)cn1
InChIInChI=1S/C19H14FN7/c1-26-10-14(9-23-26)13-8-15(20)19-25-24-18(27(19)11-13)7-12-2-3-16-17(6-12)22-5-4-21-16/h2-6,8-11H,7H2,1H3
InChIKeyOOPMTQUFLBFANM-UHFFFAOYSA-N
XLogP2.80
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline 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]methyl]quinoxaline?
The IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline (CID 118732803) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline.
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]quinoxaline?
The canonical SMILES for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline is Cn1cc(-c2cc(F)c3nnc(Cc4ccc5nccnc5c4)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]quinoxaline?
The InChIKey is OOPMTQUFLBFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7/c1-26-10-14(9-23-26)13-8-15(20)19-25-24-18(27(19)11-13)7-12-2-3-16-17(6-12)22-5-4-21-16/h2-6,8-11H,7H2,1H3.
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]quinoxaline?
6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoxaline has a molecular weight of 359.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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]quinoxaline is sourced from PubChem (CID 118732803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).