[2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate

C32H37N3O3 — CID 6279426

About [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate

[2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 6279426) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

• Compound Name: [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
• PubChem CID: 6279426
• Molecular Formula: C32H37N3O3
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.28
• IUPAC Name: [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
• SMILES: COc1cc(-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)ccc1OC(=O)/C=C/c1ccccc1
• InChI: InChI=1S/C32H37N3O3/c1-22-17-18-35-27(19-22)33-29(30(35)34-32(5,6)21-31(2,3)4)24-14-15-25(26(20-24)37-7)38-28(36)16-13-23-11-9-8-10-12-23/h8-20,34H,21H2,1-7H3/b16-13+
• InChIKey: RNVWNLZCHYJOLB-DTQAZKPQSA-N
• XLogP: 7.56
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate?

The IUPAC name of [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate (CID 6279426) is [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate.

What is the SMILES notation for [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate?

The canonical SMILES for [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate is COc1cc(-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)ccc1OC(=O)/C=C/c1ccccc1.

What is the InChIKey of [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate?

The InChIKey is RNVWNLZCHYJOLB-DTQAZKPQSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-22-17-18-35-27(19-22)33-29(30(35)34-32(5,6)21-31(2,3)4)24-14-15-25(26(20-24)37-7)38-28(36)16-13-23-11-9-8-10-12-23/h8-20,34H,21H2,1-7H3/b16-13+.

What are the key properties of [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate?

[2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 511.67 g/mol, XLogP of 7.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 6279426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).