(6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C28H27N3O2 — CID 93013243

About (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013243) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 93013243
• Molecular Formula: C28H27N3O2
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.21
• IUPAC Name: (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(NCCc1ccccc1)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2
• InChI: InChI=1S/C28H27N3O2/c32-28(29-18-17-21-7-3-1-4-8-21)26-20-31-19-23(13-16-27(31)30-26)22-11-14-25(15-12-22)33-24-9-5-2-6-10-24/h1-12,14-15,20,23H,13,16-19H2,(H,29,32)/t23-/m0/s1
• InChIKey: CJDGBGOSRMYDLA-QHCPKHFHSA-N
• XLogP: 5.38
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013243) is (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2.

What is the InChIKey of (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is CJDGBGOSRMYDLA-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-28(29-18-17-21-7-3-1-4-8-21)26-20-31-19-23(13-16-27(31)30-26)22-11-14-25(15-12-22)33-24-9-5-2-6-10-24/h1-12,14-15,20,23H,13,16-19H2,(H,29,32)/t23-/m0/s1.

What are the key properties of (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

(6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).