3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

C27H25N5O3 — CID 166057938

IUPAC3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(c1)CCC(c1ccccc1)C2
InChIInChI=1S/C27H25N5O3/c1-17-12-23(31-35-17)26-29-28-25-15-24(33-2)27(30-32(25)26)34-16-18-8-9-22-14-21(11-10-20(22)13-18)19-6-4-3-5-7-19/h3-9,12-13,15,21H,10-11,14,16H2,1-2H3
InChIKeyDMYMMXRAMHOTJR-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.95
Rot. Bonds6

About 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole

3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 166057938) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID166057938
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
SMILESCOc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(c1)CCC(c1ccccc1)C2
InChIInChI=1S/C27H25N5O3/c1-17-12-23(31-35-17)26-29-28-25-15-24(33-2)27(30-32(25)26)34-16-18-8-9-22-14-21(11-10-20(22)13-18)19-6-4-3-5-7-19/h3-9,12-13,15,21H,10-11,14,16H2,1-2H3
InChIKeyDMYMMXRAMHOTJR-UHFFFAOYSA-N
XLogP4.95
TPSA87.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)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

Related Compounds

3-[7-methoxy-6-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518788
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
3-[7-methoxy-6-[[6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518488
3-[6-[(6-ethoxy-2-pyridinyl)methoxy]-7-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518600
3-[7-methoxy-6-[[6-[1-(oxetan-3-yl)piperidin-3-yl]-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518802
3-[7-methoxy-6-[(5-methylsulfonyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518595
6-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 156518847
2-[[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 166171794
3-[7-methoxy-6-[[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-6-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole
CID 156518794
4-methoxy-1-[2-[[7-methoxy-3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one
CID 156518601
5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
CID 67485672
3-[7-methoxy-6-[[6-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-[2-[[3-(5-methyl-1,2-oxazol-3-yl)-6-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]oxy]ethyl]-1,2-oxazole
CID 156518612

Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole (CID 166057938) is 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)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-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is COc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ccc2c(c1)CCC(c1ccccc1)C2.
What is the InChIKey of 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is DMYMMXRAMHOTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-17-12-23(31-35-17)26-29-28-25-15-24(33-2)27(30-32(25)26)34-16-18-8-9-22-14-21(11-10-20(22)13-18)19-6-4-3-5-7-19/h3-9,12-13,15,21H,10-11,14,16H2,1-2H3.
What are the key properties of 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole?
3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 467.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 166057938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).