N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine

C25H23FN8O — CID 166923207

About N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine

N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine (PubChem CID 166923207) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine.

Molecular Properties

• Compound Name: N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine
• PubChem CID: 166923207
• Molecular Formula: C25H23FN8O
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.20
• IUPAC Name: N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine
• SMILES: Cc1cccc(-c2[nH]c(CNc3cncc(F)c3)nc2-c2ccc3ncc(OCCN)nc3c2)n1
• InChI: InChI=1S/C25H23FN8O/c1-15-3-2-4-20(31-15)25-24(33-22(34-25)13-29-18-10-17(26)11-28-12-18)16-5-6-19-21(9-16)32-23(14-30-19)35-8-7-27/h2-6,9-12,14,29H,7-8,13,27H2,1H3,(H,33,34)
• InChIKey: MULPKIZBWHRUHG-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 127.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine?

The IUPAC name of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine (CID 166923207) is N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine.

What is the SMILES notation for N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine?

The canonical SMILES for N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine is Cc1cccc(-c2[nH]c(CNc3cncc(F)c3)nc2-c2ccc3ncc(OCCN)nc3c2)n1.

What is the InChIKey of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine?

The InChIKey is MULPKIZBWHRUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-15-3-2-4-20(31-15)25-24(33-22(34-25)13-29-18-10-17(26)11-28-12-18)16-5-6-19-21(9-16)32-23(14-30-19)35-8-7-27/h2-6,9-12,14,29H,7-8,13,27H2,1H3,(H,33,34).

What are the key properties of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine?

N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine has a molecular weight of 470.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine is sourced from PubChem (CID 166923207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).