4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol

C32H34N4O — CID 140864095

About 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol

4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864095) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864095
• Molecular Formula: C32H34N4O
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.27
• IUPAC Name: 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: Cn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)ccnc21
• InChI: InChI=1S/C32H34N4O/c1-31(2,3)22-11-12-27(37)25(19-22)29-35-28-24(13-15-34-30(28)36(29)7)20-16-21(26-10-8-9-14-33-26)18-23(17-20)32(4,5)6/h8-19,37H,1-7H3
• InChIKey: XKTOJEKMDBMXJM-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol (CID 140864095) is 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol.

What is the SMILES notation for 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol?

The canonical SMILES for 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol is Cn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)ccnc21.

What is the InChIKey of 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is XKTOJEKMDBMXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O/c1-31(2,3)22-11-12-27(37)25(19-22)29-35-28-24(13-15-34-30(28)36(29)7)20-16-21(26-10-8-9-14-33-26)18-23(17-20)32(4,5)6/h8-19,37H,1-7H3.

What are the key properties of 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol?

4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 490.65 g/mol, XLogP of 7.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).