1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone

C24H25N7O — CID 167583660

About 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone

1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone (PubChem CID 167583660) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone
• PubChem CID: 167583660
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone
• SMILES: CNCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3-n3ccnc3C)n2)cc1
• InChI: InChI=1S/C24H25N7O/c1-16-28-11-12-31(16)21-8-10-27-14-19(21)13-22(32)23-24(25)29-15-20(30-23)18-5-3-17(4-6-18)7-9-26-2/h3-6,8,10-12,14-15,26H,7,9,13H2,1-2H3,(H2,25,29)
• InChIKey: HMUMQJIXCXMZHY-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone?

The IUPAC name of 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone (CID 167583660) is 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone.

What is the SMILES notation for 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone?

The canonical SMILES for 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone is CNCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3-n3ccnc3C)n2)cc1.

What is the InChIKey of 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone?

The InChIKey is HMUMQJIXCXMZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16-28-11-12-31(16)21-8-10-27-14-19(21)13-22(32)23-24(25)29-15-20(30-23)18-5-3-17(4-6-18)7-9-26-2/h3-6,8,10-12,14-15,26H,7,9,13H2,1-2H3,(H2,25,29).

What are the key properties of 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone?

1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 167583660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).