ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C27H27FN6 — CID 171495372

About ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171495372) has the molecular formula C27H27FN6 and a molecular weight of 454.55 g/mol. Its IUPAC name is ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171495372
• Molecular Formula: C27H27FN6
• Molecular Weight: 454.55 g/mol
• Exact Mass: 454.23
• IUPAC Name: ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CC.CCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(CF)cn4)nc32)cc1
• InChI: InChI=1S/C25H21FN6.C2H6/c1-2-16-5-8-18(9-6-16)32-24(19-4-3-13-28-23(19)27)31-22-12-11-21(30-25(22)32)20-10-7-17(14-26)15-29-20;1-2/h3-13,15H,2,14H2,1H3,(H2,27,28);1-2H3
• InChIKey: FELGFVDWQSVONA-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.55
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171495372) is ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC.CCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(CF)cn4)nc32)cc1.

What is the InChIKey of ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is FELGFVDWQSVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6.C2H6/c1-2-16-5-8-18(9-6-16)32-24(19-4-3-13-28-23(19)27)31-22-12-11-21(30-25(22)32)20-10-7-17(14-26)15-29-20;1-2/h3-13,15H,2,14H2,1H3,(H2,27,28);1-2H3.

What are the key properties of ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 454.55 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171495372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).