(6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C31H33N3O4 — CID 93013252

About (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013252) has the molecular formula C31H33N3O4 and a molecular weight of 511.62 g/mol. Its IUPAC name is (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 93013252
• Molecular Formula: C31H33N3O4
• Molecular Weight: 511.62 g/mol
• Exact Mass: 511.25
• IUPAC Name: (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: COc1ccc(CCN(C)C(=O)c2cn3c(n2)CC[C@@H](c2ccc(Oc4ccccc4)cc2)C3)cc1OC
• InChI: InChI=1S/C31H33N3O4/c1-33(18-17-22-9-15-28(36-2)29(19-22)37-3)31(35)27-21-34-20-24(12-16-30(34)32-27)23-10-13-26(14-11-23)38-25-7-5-4-6-8-25/h4-11,13-15,19,21,24H,12,16-18,20H2,1-3H3/t24-/m1/s1
• InChIKey: AWPZTVQNPSGJOJ-XMMPIXPASA-N
• XLogP: 5.74
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.62
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013252) is (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(CCN(C)C(=O)c2cn3c(n2)CC[C@@H](c2ccc(Oc4ccccc4)cc2)C3)cc1OC.

What is the InChIKey of (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is AWPZTVQNPSGJOJ-XMMPIXPASA-N. The full InChI is InChI=1S/C31H33N3O4/c1-33(18-17-22-9-15-28(36-2)29(19-22)37-3)31(35)27-21-34-20-24(12-16-30(34)32-27)23-10-13-26(14-11-23)38-25-7-5-4-6-8-25/h4-11,13-15,19,21,24H,12,16-18,20H2,1-3H3/t24-/m1/s1.

What are the key properties of (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

(6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 511.62 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).