8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine

C26H28N6O3S — CID 177195487

About 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine

8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195487) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine
• PubChem CID: 177195487
• Molecular Formula: C26H28N6O3S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.19
• IUPAC Name: 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine
• SMILES: COc1ccc(C)c(Oc2nc(N3CC4CCC(C3)O4)cc3c(-c4nnc(C)s4)cnc(N)c23)c1C
• InChI: InChI=1S/C26H28N6O3S/c1-13-5-8-20(33-4)14(2)23(13)35-25-22-18(19(10-28-24(22)27)26-31-30-15(3)36-26)9-21(29-25)32-11-16-6-7-17(12-32)34-16/h5,8-10,16-17H,6-7,11-12H2,1-4H3,(H2,27,28)
• InChIKey: RFQKVWGOEOMKEH-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 108.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?

The IUPAC name of 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine (CID 177195487) is 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine.

What is the SMILES notation for 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?

The canonical SMILES for 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine is COc1ccc(C)c(Oc2nc(N3CC4CCC(C3)O4)cc3c(-c4nnc(C)s4)cnc(N)c23)c1C.

What is the InChIKey of 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?

The InChIKey is RFQKVWGOEOMKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-13-5-8-20(33-4)14(2)23(13)35-25-22-18(19(10-28-24(22)27)26-31-30-15(3)36-26)9-21(29-25)32-11-16-6-7-17(12-32)34-16/h5,8-10,16-17H,6-7,11-12H2,1-4H3,(H2,27,28).

What are the key properties of 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?

8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine has a molecular weight of 504.62 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).