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

C21H17FN6O — CID 118732802

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline
SMILESCOc1cnc2ccc(Cc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1
InChIInChI=1S/C21H17FN6O/c1-27-11-16(9-24-27)15-8-18(22)21-26-25-20(28(21)12-15)6-13-3-4-19-14(5-13)7-17(29-2)10-23-19/h3-5,7-12H,6H2,1-2H3
InChIKeyQMMOLPPSCMSZOG-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.42
Rot. Bonds4

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

6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline (PubChem CID 118732802) has the molecular formula C21H17FN6O and a molecular weight of 388.41 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]-3-methoxyquinoline.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline
PubChem CID118732802
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline
SMILESCOc1cnc2ccc(Cc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1
InChIInChI=1S/C21H17FN6O/c1-27-11-16(9-24-27)15-8-18(22)21-26-25-20(28(21)12-15)6-13-3-4-19-14(5-13)7-17(29-2)10-23-19/h3-5,7-12H,6H2,1-2H3
InChIKeyQMMOLPPSCMSZOG-UHFFFAOYSA-N
XLogP3.42
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.42
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]-3-methoxyquinoline 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 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline?
The IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline (CID 118732802) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline.
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]-3-methoxyquinoline?
The canonical SMILES for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline is COc1cnc2ccc(Cc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1.
What is the InChIKey of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline?
The InChIKey is QMMOLPPSCMSZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-27-11-16(9-24-27)15-8-18(22)21-26-25-20(28(21)12-15)6-13-3-4-19-14(5-13)7-17(29-2)10-23-19/h3-5,7-12H,6H2,1-2H3.
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]-3-methoxyquinoline?
6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methoxyquinoline has a molecular weight of 388.41 g/mol, XLogP of 3.42, 4 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]-3-methoxyquinoline is sourced from PubChem (CID 118732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).