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

C27H29N7O2 — CID 160710808

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

2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone (PubChem CID 160710808) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
• PubChem CID: 160710808
• Molecular Formula: C27H29N7O2
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.24
• IUPAC Name: 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
• SMILES: CC(C)(C)Nc1cncc(-c2cnc3cnc(CC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1
• InChI: InChI=1S/C27H29N7O2/c1-27(2,3)33-25-17-28-15-23(32-25)20-10-19-11-21(30-16-22(19)31-14-20)13-24(35)18-4-5-29-26(12-18)34-6-8-36-9-7-34/h4-5,10-12,14-17H,6-9,13H2,1-3H3,(H,32,33)
• InChIKey: RRVGMEUSWKBUEY-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 106.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	3.95
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-morpholin-4-yl-4-pyridinyl)ethanone?

The IUPAC name of 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone (CID 160710808) is 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-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-morpholin-4-yl-4-pyridinyl)ethanone?

The canonical SMILES for 2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone is CC(C)(C)Nc1cncc(-c2cnc3cnc(CC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1.

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

The InChIKey is RRVGMEUSWKBUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-27(2,3)33-25-17-28-15-23(32-25)20-10-19-11-21(30-16-22(19)31-14-20)13-24(35)18-4-5-29-26(12-18)34-6-8-36-9-7-34/h4-5,10-12,14-17H,6-9,13H2,1-3H3,(H,32,33).

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

2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone has a molecular weight of 483.58 g/mol, XLogP of 3.95, 6 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-morpholin-4-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 160710808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).