tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate

C34H38N4O5 — CID 88582328

IUPACtert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(C(=O)NOC5CCCCO5)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C34H38N4O5/c1-33(2,3)42-32(40)36-34(18-9-19-34)26-15-13-23(14-16-26)29-30(24-10-5-4-6-11-24)38-20-17-25(22-27(38)35-29)31(39)37-43-28-12-7-8-21-41-28/h4-6,10-11,13-17,20,22,28H,7-9,12,18-19,21H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyAZPYOCIPURXLCL-UHFFFAOYSA-N
MW582.70 g/mol
LogP6.76
Rot. Bonds7

About tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate (PubChem CID 88582328) has the molecular formula C34H38N4O5 and a molecular weight of 582.70 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
PubChem CID88582328
Molecular FormulaC34H38N4O5
Molecular Weight582.70 g/mol
Exact Mass582.28
IUPAC Nametert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(C(=O)NOC5CCCCO5)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C34H38N4O5/c1-33(2,3)42-32(40)36-34(18-9-19-34)26-15-13-23(14-16-26)29-30(24-10-5-4-6-11-24)38-20-17-25(22-27(38)35-29)31(39)37-43-28-12-7-8-21-41-28/h4-6,10-11,13-17,20,22,28H,7-9,12,18-19,21H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyAZPYOCIPURXLCL-UHFFFAOYSA-N
XLogP6.76
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate (CID 88582328) is tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(C(=O)NOC5CCCCO5)ccn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is AZPYOCIPURXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O5/c1-33(2,3)42-32(40)36-34(18-9-19-34)26-15-13-23(14-16-26)29-30(24-10-5-4-6-11-24)38-20-17-25(22-27(38)35-29)31(39)37-43-28-12-7-8-21-41-28/h4-6,10-11,13-17,20,22,28H,7-9,12,18-19,21H2,1-3H3,(H,36,40)(H,37,39).
What are the key properties of tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 582.70 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[7-(oxan-2-yloxycarbamoyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 88582328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).