3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

C26H24ClN5 — CID 171494402

About 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (PubChem CID 171494402) has the molecular formula C26H24ClN5 and a molecular weight of 441.97 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
• PubChem CID: 171494402
• Molecular Formula: C26H24ClN5
• Molecular Weight: 441.97 g/mol
• Exact Mass: 441.17
• IUPAC Name: 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
• SMILES: CC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(Cl)cc4)nc32)cc1
• InChI: InChI=1S/C24H18ClN5.C2H6/c1-15-4-10-18(11-5-15)30-23(19-3-2-14-27-22(19)26)29-21-13-12-20(28-24(21)30)16-6-8-17(25)9-7-16;1-2/h2-14H,1H3,(H2,26,27);1-2H3
• InChIKey: JXXXREQRPAFZDU-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.97
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (CID 171494402) is 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is CC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(Cl)cc4)nc32)cc1.

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

The InChIKey is JXXXREQRPAFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5.C2H6/c1-15-4-10-18(11-5-15)30-23(19-3-2-14-27-22(19)26)29-21-13-12-20(28-24(21)30)16-6-8-17(25)9-7-16;1-2/h2-14H,1H3,(H2,26,27);1-2H3.

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

3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane has a molecular weight of 441.97 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 171494402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).