2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

C22H22FN7O2 — CID 59085563

About 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (PubChem CID 59085563) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
• PubChem CID: 59085563
• Molecular Formula: C22H22FN7O2
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.18
• IUPAC Name: 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
• SMILES: Cc1cnc(NCCc2ncccc2F)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
• InChI: InChI=1S/C22H22FN7O2/c1-14-10-29-21(26-8-5-18-17(23)3-2-6-24-18)22(32)30(14)13-20(31)28-11-16-9-15-4-7-25-19(15)12-27-16/h2-4,6-7,9-10,12,25H,5,8,11,13H2,1H3,(H,26,29)(H,28,31)
• InChIKey: OZOKCKSFLXCHAB-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?

The IUPAC name of 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (CID 59085563) is 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

What is the SMILES notation for 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?

The canonical SMILES for 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is Cc1cnc(NCCc2ncccc2F)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.

What is the InChIKey of 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?

The InChIKey is OZOKCKSFLXCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-14-10-29-21(26-8-5-18-17(23)3-2-6-24-18)22(32)30(14)13-20(31)28-11-16-9-15-4-7-25-19(15)12-27-16/h2-4,6-7,9-10,12,25H,5,8,11,13H2,1H3,(H,26,29)(H,28,31).

What are the key properties of 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?

2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide has a molecular weight of 435.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 59085563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).