4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline

C22H16FN5O2 — CID 67502414

IUPAC4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5cccc(F)n5)cn34)ccnc2c1
InChIInChI=1S/C22H16FN5O2/c1-29-15-6-7-16-18(11-15)24-10-9-19(16)30-13-22-27-26-21-8-5-14(12-28(21)22)17-3-2-4-20(23)25-17/h2-12H,13H2,1H3
InChIKeyBOTZUPMKDHCNQE-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.07
Rot. Bonds5

About 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline

4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline (PubChem CID 67502414) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline.

Molecular Properties

Compound Name4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
PubChem CID67502414
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5cccc(F)n5)cn34)ccnc2c1
InChIInChI=1S/C22H16FN5O2/c1-29-15-6-7-16-18(11-15)24-10-9-19(16)30-13-22-27-26-21-8-5-14(12-28(21)22)17-3-2-4-20(23)25-17/h2-12H,13H2,1H3
InChIKeyBOTZUPMKDHCNQE-UHFFFAOYSA-N
XLogP4.07
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-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 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
The IUPAC name of 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline (CID 67502414) is 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline.
What is the SMILES notation for 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
The canonical SMILES for 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline is COc1ccc2c(OCc3nnc4ccc(-c5cccc(F)n5)cn34)ccnc2c1.
What is the InChIKey of 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
The InChIKey is BOTZUPMKDHCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c1-29-15-6-7-16-18(11-15)24-10-9-19(16)30-13-22-27-26-21-8-5-14(12-28(21)22)17-3-2-4-20(23)25-17/h2-12H,13H2,1H3.
What are the key properties of 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline has a molecular weight of 401.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline is sourced from PubChem (CID 67502414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).