ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate

C30H30ClN3O3 — CID 97037482

About ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate

ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate (PubChem CID 97037482) has the molecular formula C30H30ClN3O3 and a molecular weight of 516.04 g/mol. Its IUPAC name is ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate
• PubChem CID: 97037482
• Molecular Formula: C30H30ClN3O3
• Molecular Weight: 516.04 g/mol
• Exact Mass: 515.20
• IUPAC Name: ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate
• SMILES: CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccccc4Cl)cn23)C1
• InChI: InChI=1S/C30H30ClN3O3/c1-2-37-30(36)23-11-8-18-33(19-23)28(35)17-15-26-29(21-9-4-3-5-10-21)32-27-16-14-22(20-34(26)27)24-12-6-7-13-25(24)31/h3-7,9-10,12-14,16,20,23H,2,8,11,15,17-19H2,1H3/t23-/m1/s1
• InChIKey: WGGFIYNIQUHBIK-HSZRJFAPSA-N
• XLogP: 6.06
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.04
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate?

The IUPAC name of ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate (CID 97037482) is ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate?

The canonical SMILES for ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccccc4Cl)cn23)C1.

What is the InChIKey of ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate?

The InChIKey is WGGFIYNIQUHBIK-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H30ClN3O3/c1-2-37-30(36)23-11-8-18-33(19-23)28(35)17-15-26-29(21-9-4-3-5-10-21)32-27-16-14-22(20-34(26)27)24-12-6-7-13-25(24)31/h3-7,9-10,12-14,16,20,23H,2,8,11,15,17-19H2,1H3/t23-/m1/s1.

What are the key properties of ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate?

ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate has a molecular weight of 516.04 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 97037482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).