3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide

C26H28N4O2 — CID 122485172

About 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide

3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 122485172) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide
• PubChem CID: 122485172
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide
• SMILES: COc1ccc(Cn2c(CCC(=O)N(C)[C@@H](C)c3ccccc3)nc3cccnc32)cc1
• InChI: InChI=1S/C26H28N4O2/c1-19(21-8-5-4-6-9-21)29(2)25(31)16-15-24-28-23-10-7-17-27-26(23)30(24)18-20-11-13-22(32-3)14-12-20/h4-14,17,19H,15-16,18H2,1-3H3/t19-/m0/s1
• InChIKey: BIQLIDKGFRYIFZ-IBGZPJMESA-N
• XLogP: 4.64
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide?

The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide (CID 122485172) is 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide.

What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide?

The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide is COc1ccc(Cn2c(CCC(=O)N(C)[C@@H](C)c3ccccc3)nc3cccnc32)cc1.

What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide?

The InChIKey is BIQLIDKGFRYIFZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19(21-8-5-4-6-9-21)29(2)25(31)16-15-24-28-23-10-7-17-27-26(23)30(24)18-20-11-13-22(32-3)14-12-20/h4-14,17,19H,15-16,18H2,1-3H3/t19-/m0/s1.

What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide?

3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 428.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 122485172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).