1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

C24H28N6O2 — CID 167672209

About 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 167672209) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
• PubChem CID: 167672209
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
• SMILES: NCCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)cc1
• InChI: InChI=1S/C24H28N6O2/c25-8-1-2-17-3-5-18(6-4-17)20-16-28-24(26)23(29-20)22(31)14-19-15-27-9-7-21(19)30-10-12-32-13-11-30/h3-7,9,15-16H,1-2,8,10-14,25H2,(H2,26,28)
• InChIKey: UHARBTWXJUWESV-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 120.25 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	432.53
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (CID 167672209) is 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

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

The canonical SMILES for 1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is NCCCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)cc1.

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

The InChIKey is UHARBTWXJUWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c25-8-1-2-17-3-5-18(6-4-17)20-16-28-24(26)23(29-20)22(31)14-19-15-27-9-7-21(19)30-10-12-32-13-11-30/h3-7,9,15-16H,1-2,8,10-14,25H2,(H2,26,28).

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

1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 432.53 g/mol, XLogP of 2.27, 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-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 167672209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).