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

C28H28BrN3O2 — CID 66665545

IUPACtert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(Br)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C28H28BrN3O2/c1-27(2,3)34-26(33)31-28(15-7-16-28)21-12-10-19(11-13-21)24-25(20-8-5-4-6-9-20)32-17-14-22(29)18-23(32)30-24/h4-6,8-14,17-18H,7,15-16H2,1-3H3,(H,31,33)
InChIKeySHPCHVHCGOJFTD-UHFFFAOYSA-N
MW518.46 g/mol
LogP7.33
Rot. Bonds4

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

tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate (PubChem CID 66665545) has the molecular formula C28H28BrN3O2 and a molecular weight of 518.46 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
PubChem CID66665545
Molecular FormulaC28H28BrN3O2
Molecular Weight518.46 g/mol
Exact Mass517.14
IUPAC Nametert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(Br)ccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C28H28BrN3O2/c1-27(2,3)34-26(33)31-28(15-7-16-28)21-12-10-19(11-13-21)24-25(20-8-5-4-6-9-20)32-17-14-22(29)18-23(32)30-24/h4-6,8-14,17-18H,7,15-16H2,1-3H3,(H,31,33)
InChIKeySHPCHVHCGOJFTD-UHFFFAOYSA-N
XLogP7.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate (CID 66665545) is tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4cc(Br)ccn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is SHPCHVHCGOJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrN3O2/c1-27(2,3)34-26(33)31-28(15-7-16-28)21-12-10-19(11-13-21)24-25(20-8-5-4-6-9-20)32-17-14-22(29)18-23(32)30-24/h4-6,8-14,17-18H,7,15-16H2,1-3H3,(H,31,33).
What are the key properties of tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 518.46 g/mol, XLogP of 7.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 66665545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).