2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone

C30H36N8O — CID 161228089

About 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone

2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 161228089) has the molecular formula C30H36N8O and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
• PubChem CID: 161228089
• Molecular Formula: C30H36N8O
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.30
• IUPAC Name: 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
• SMILES: CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1
• InChI: InChI=1S/C30H36N8O/c1-20(2)37-8-10-38(11-9-37)29-14-21(6-7-32-29)27(39)15-24-13-22-12-23(16-34-25(22)18-33-24)26-17-31-19-28(35-26)36-30(3,4)5/h6-7,12-14,16-20H,8-11,15H2,1-5H3,(H,35,36)
• InChIKey: UYJRGZJVVFOBLO-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 100.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

The IUPAC name of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 161228089) is 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone.

What is the SMILES notation for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

The canonical SMILES for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone is CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncc(NC(C)(C)C)n5)cnc4cn3)ccn2)CC1.

What is the InChIKey of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

The InChIKey is UYJRGZJVVFOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O/c1-20(2)37-8-10-38(11-9-37)29-14-21(6-7-32-29)27(39)15-24-13-22-12-23(16-34-25(22)18-33-24)26-17-31-19-28(35-26)36-30(3,4)5/h6-7,12-14,16-20H,8-11,15H2,1-5H3,(H,35,36).

What are the key properties of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 524.67 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 161228089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).