2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone

C22H22N8OS — CID 158242202

About 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone

2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 158242202) has the molecular formula C22H22N8OS and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
• PubChem CID: 158242202
• Molecular Formula: C22H22N8OS
• Molecular Weight: 446.54 g/mol
• Exact Mass: 446.16
• IUPAC Name: 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
• SMILES: CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)cnc4cn3)ccn2)CC1
• InChI: InChI=1S/C22H22N8OS/c1-29-4-6-30(7-5-29)20-10-14(2-3-24-20)19(31)11-17-9-15-8-16(12-26-18(15)13-25-17)21-27-28-22(23)32-21/h2-3,8-10,12-13H,4-7,11H2,1H3,(H2,23,28)
• InChIKey: GFRIFGGIWVGNAR-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 114.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.54
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?

The IUPAC name of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 158242202) is 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone.

What is the SMILES notation for 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?

The canonical SMILES for 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)cnc4cn3)ccn2)CC1.

What is the InChIKey of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?

The InChIKey is GFRIFGGIWVGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8OS/c1-29-4-6-30(7-5-29)20-10-14(2-3-24-20)19(31)11-17-9-15-8-16(12-26-18(15)13-25-17)21-27-28-22(23)32-21/h2-3,8-10,12-13H,4-7,11H2,1H3,(H2,23,28).

What are the key properties of 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone?

2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 446.54 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 158242202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).