[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate

C30H41N3O2 — CID 3270376

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

[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate (PubChem CID 3270376) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate.

Molecular Properties

• Compound Name: [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate
• PubChem CID: 3270376
• Molecular Formula: C30H41N3O2
• Molecular Weight: 475.68 g/mol
• Exact Mass: 475.32
• IUPAC Name: [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate
• SMILES: Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CCC3CCCC3)nc2c1
• InChI: InChI=1S/C30H41N3O2/c1-21-17-18-33-25(19-21)31-27(28(33)32-30(5,6)20-29(2,3)4)23-13-9-10-14-24(23)35-26(34)16-15-22-11-7-8-12-22/h9-10,13-14,17-19,22,32H,7-8,11-12,15-16,20H2,1-6H3
• InChIKey: RIANJDGPYUABOL-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.68
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate (CID 3270376) is [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate.

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

The canonical SMILES for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate is Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CCC3CCCC3)nc2c1.

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

The InChIKey is RIANJDGPYUABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-21-17-18-33-25(19-21)31-27(28(33)32-30(5,6)20-29(2,3)4)23-13-9-10-14-24(23)35-26(34)16-15-22-11-7-8-12-22/h9-10,13-14,17-19,22,32H,7-8,11-12,15-16,20H2,1-6H3.

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

[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate has a molecular weight of 475.68 g/mol, XLogP of 7.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 3270376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).