2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide

C25H26N8O2 — CID 176846252

About 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide

2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide (PubChem CID 176846252) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
• PubChem CID: 176846252
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
• SMILES: [H]/N=C/C(=C\N)c1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cnccc2[nH]1
• InChI: InChI=1S/C25H26N8O2/c26-11-19(12-27)22-15-31-24(29-9-6-17-4-2-1-3-5-17)25(35)33(22)16-23(34)30-14-20-10-18-13-28-8-7-21(18)32-20/h1-5,7-8,10-13,15,26,32H,6,9,14,16,27H2,(H,29,31)(H,30,34)/b19-12+,26-11+
• InChIKey: FNOHFDGTIRYEMT-WWXSCWMZSA-N
• XLogP: 2.04
• TPSA: 154.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide (CID 176846252) is 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide is [H]/N=C/C(=C\N)c1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cnccc2[nH]1.

What is the InChIKey of 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

The InChIKey is FNOHFDGTIRYEMT-WWXSCWMZSA-N. The full InChI is InChI=1S/C25H26N8O2/c26-11-19(12-27)22-15-31-24(29-9-6-17-4-2-1-3-5-17)25(35)33(22)16-23(34)30-14-20-10-18-13-28-8-7-21(18)32-20/h1-5,7-8,10-13,15,26,32H,6,9,14,16,27H2,(H,29,31)(H,30,34)/b19-12+,26-11+.

What are the key properties of 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide?

2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide has a molecular weight of 470.54 g/mol, XLogP of 2.04, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 176846252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).