N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

C33H25N3O2S — CID 11613407

About N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 11613407) has the molecular formula C33H25N3O2S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
• PubChem CID: 11613407
• Molecular Formula: C33H25N3O2S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.17
• IUPAC Name: N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
• SMILES: COc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1
• InChI: InChI=1S/C33H25N3O2S/c1-37-27-15-8-14-26(22-27)34-33-31(30-20-19-28(39-30)18-17-24-10-4-2-5-11-24)35-32-29(16-9-21-36(32)33)38-23-25-12-6-3-7-13-25/h2-16,19-22,34H,23H2,1H3
• InChIKey: SDAUPBCNPSJRSH-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 47.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?

The IUPAC name of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (CID 11613407) is N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is COc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1.

What is the InChIKey of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?

The InChIKey is SDAUPBCNPSJRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2S/c1-37-27-15-8-14-26(22-27)34-33-31(30-20-19-28(39-30)18-17-24-10-4-2-5-11-24)35-32-29(16-9-21-36(32)33)38-23-25-12-6-3-7-13-25/h2-16,19-22,34H,23H2,1H3.

What are the key properties of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?

N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 527.65 g/mol, XLogP of 7.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 11613407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).