tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate

C24H33N5O5 — CID 165132871

About tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate (PubChem CID 165132871) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate
• PubChem CID: 165132871
• Molecular Formula: C24H33N5O5
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.25
• IUPAC Name: tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate
• SMILES: CN(Cc1cn2cc(C3CC3)cc(N3CC(=O)N(CC(C)(C)O)C3=O)c2n1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H33N5O5/c1-23(2,3)34-22(32)26(6)11-17-12-27-10-16(15-7-8-15)9-18(20(27)25-17)28-13-19(30)29(21(28)31)14-24(4,5)33/h9-10,12,15,33H,7-8,11,13-14H2,1-6H3
• InChIKey: ZEWSJZPCLOAEIP-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 107.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate (CID 165132871) is tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate is CN(Cc1cn2cc(C3CC3)cc(N3CC(=O)N(CC(C)(C)O)C3=O)c2n1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate?

The InChIKey is ZEWSJZPCLOAEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-23(2,3)34-22(32)26(6)11-17-12-27-10-16(15-7-8-15)9-18(20(27)25-17)28-13-19(30)29(21(28)31)14-24(4,5)33/h9-10,12,15,33H,7-8,11,13-14H2,1-6H3.

What are the key properties of tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate?

tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 471.56 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[6-cyclopropyl-8-[3-(2-hydroxy-2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 165132871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).