3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

C21H22N6O5 — CID 156518605

IUPAC3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C21H22N6O5/c1-13-9-17(26-32-13)20-24-23-19-10-18(28-2)21(25-27(19)20)30-12-14-3-4-16(11-22-14)31-15-5-7-29-8-6-15/h3-4,9-11,15H,5-8,12H2,1-2H3
InChIKeyXYRXFKBSSWGWRF-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.63
Rot. Bonds7

About 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 156518605) has the molecular formula C21H22N6O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID156518605
Molecular FormulaC21H22N6O5
Molecular Weight438.44 g/mol
Exact Mass438.17
IUPAC Name3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C21H22N6O5/c1-13-9-17(26-32-13)20-24-23-19-10-18(28-2)21(25-27(19)20)30-12-14-3-4-16(11-22-14)31-15-5-7-29-8-6-15/h3-4,9-11,15H,5-8,12H2,1-2H3
InChIKeyXYRXFKBSSWGWRF-UHFFFAOYSA-N
XLogP2.63
TPSA118.92 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole 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-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (CID 156518605) is 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc(OC2CCOCC2)cn1.
What is the InChIKey of 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is XYRXFKBSSWGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O5/c1-13-9-17(26-32-13)20-24-23-19-10-18(28-2)21(25-27(19)20)30-12-14-3-4-16(11-22-14)31-15-5-7-29-8-6-15/h3-4,9-11,15H,5-8,12H2,1-2H3.
What are the key properties of 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 438.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-6-[[5-(oxan-4-yloxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).