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

C30H41N3O2 — CID 3381984

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

[3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate (PubChem CID 3381984) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is [3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate.

Molecular Properties

• Compound Name: [3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate
• PubChem CID: 3381984
• Molecular Formula: C30H41N3O2
• Molecular Weight: 475.68 g/mol
• Exact Mass: 475.32
• IUPAC Name: [3-[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(-c3cccc(OC(=O)CCC4CCCC4)c3)nc2c1
• InChI: InChI=1S/C30H41N3O2/c1-21-16-17-33-25(18-21)31-27(28(33)32-30(5,6)20-29(2,3)4)23-12-9-13-24(19-23)35-26(34)15-14-22-10-7-8-11-22/h9,12-13,16-19,22,32H,7-8,10-11,14-15,20H2,1-6H3
• InChIKey: TWAIYRXEMUSZQB-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 [3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate?

The IUPAC name of [3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate (CID 3381984) is [3-[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 [3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate?

The canonical SMILES for [3-[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(-c3cccc(OC(=O)CCC4CCCC4)c3)nc2c1.

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

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

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

[3-[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 [3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 3381984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).