2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide

C22H19ClF2N8O2 — CID 10300646

About 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide (PubChem CID 10300646) has the molecular formula C22H19ClF2N8O2 and a molecular weight of 500.90 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide
• PubChem CID: 10300646
• Molecular Formula: C22H19ClF2N8O2
• Molecular Weight: 500.90 g/mol
• Exact Mass: 500.13
• IUPAC Name: 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide
• SMILES: O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnc1
• InChI: InChI=1S/C22H19ClF2N8O2/c23-18-10-28-20(29-12-22(24,25)17-7-3-4-8-26-17)21(35)33(18)11-19(34)27-9-15-5-1-2-6-16(15)32-13-30-31-14-32/h1-8,10,13-14H,9,11-12H2,(H,27,34)(H,28,29)
• InChIKey: OKABZNCKMIVURI-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.90
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide?

The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide (CID 10300646) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide?

The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide is O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnc1.

What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide?

The InChIKey is OKABZNCKMIVURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N8O2/c23-18-10-28-20(29-12-22(24,25)17-7-3-4-8-26-17)21(35)33(18)11-19(34)27-9-15-5-1-2-6-16(15)32-13-30-31-14-32/h1-8,10,13-14H,9,11-12H2,(H,27,34)(H,28,29).

What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide?

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide has a molecular weight of 500.90 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10300646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).