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

C27H27N5O — CID 171495070

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

3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol (PubChem CID 171495070) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol.

Molecular Properties

• Compound Name: 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol
• PubChem CID: 171495070
• Molecular Formula: C27H27N5O
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.22
• IUPAC Name: 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol
• SMILES: CCc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C)cc4)c3n2)c1.CO
• InChI: InChI=1S/C26H23N5.CH4O/c1-3-18-6-4-7-19(16-18)22-13-14-23-26(29-22)31(20-11-9-17(2)10-12-20)25(30-23)21-8-5-15-28-24(21)27;1-2/h4-16H,3H2,1-2H3,(H2,27,28);2H,1H3
• InChIKey: RLBNNPDGPOUQQN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 89.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol (CID 171495070) is 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol.

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

The canonical SMILES for 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol is CCc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C)cc4)c3n2)c1.CO.

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

The InChIKey is RLBNNPDGPOUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5.CH4O/c1-3-18-6-4-7-19(16-18)22-13-14-23-26(29-22)31(20-11-9-17(2)10-12-20)25(30-23)21-8-5-15-28-24(21)27;1-2/h4-16H,3H2,1-2H3,(H2,27,28);2H,1H3.

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

3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol has a molecular weight of 437.55 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol is sourced from PubChem (CID 171495070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).