8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

C24H24N8O2S — CID 177195483

About 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195483) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
• PubChem CID: 177195483
• Molecular Formula: C24H24N8O2S
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.17
• IUPAC Name: 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
• SMILES: CNc1ccn(-c2cc3c(-c4nnc(C)s4)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)n1
• InChI: InChI=1S/C24H24N8O2S/c1-12-6-7-17(33-5)13(2)21(12)34-23-20-15(10-19(28-23)32-9-8-18(26-4)31-32)16(11-27-22(20)25)24-30-29-14(3)35-24/h6-11H,1-5H3,(H2,25,27)(H,26,31)
• InChIKey: GTIDUDRKAUGIDE-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 125.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (CID 177195483) is 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

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

The canonical SMILES for 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is CNc1ccn(-c2cc3c(-c4nnc(C)s4)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)n1.

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

The InChIKey is GTIDUDRKAUGIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2S/c1-12-6-7-17(33-5)13(2)21(12)34-23-20-15(10-19(28-23)32-9-8-18(26-4)31-32)16(11-27-22(20)25)24-30-29-14(3)35-24/h6-11H,1-5H3,(H2,25,27)(H,26,31).

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

8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine has a molecular weight of 488.58 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).