2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane

C23H33N5O2 — CID 143580271

About 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane

2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane (PubChem CID 143580271) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane.

Molecular Properties

• Compound Name: 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane
• PubChem CID: 143580271
• Molecular Formula: C23H33N5O2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.26
• IUPAC Name: 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane
• SMILES: CCC.CCOc1ccc(-c2nc3c(C)cn(CCN=O)c3nc2CC)c(CC)n1
• InChI: InChI=1S/C20H25N5O2.C3H8/c1-5-15-14(8-9-17(22-15)27-7-3)19-16(6-2)23-20-18(24-19)13(4)12-25(20)11-10-21-26;1-3-2/h8-9,12H,5-7,10-11H2,1-4H3;3H2,1-2H3
• InChIKey: KBGMPPPLHSJCMN-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 82.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane?

The IUPAC name of 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane (CID 143580271) is 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane.

What is the SMILES notation for 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane?

The canonical SMILES for 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane is CCC.CCOc1ccc(-c2nc3c(C)cn(CCN=O)c3nc2CC)c(CC)n1.

What is the InChIKey of 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane?

The InChIKey is KBGMPPPLHSJCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.C3H8/c1-5-15-14(8-9-17(22-15)27-7-3)19-16(6-2)23-20-18(24-19)13(4)12-25(20)11-10-21-26;1-3-2/h8-9,12H,5-7,10-11H2,1-4H3;3H2,1-2H3.

What are the key properties of 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane?

2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane has a molecular weight of 411.55 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane is sourced from PubChem (CID 143580271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).