tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate

C34H32FN3O2 — CID 66665651

IUPACtert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4c(-c5ccc(F)cc5)cccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C34H32FN3O2/c1-33(2,3)40-32(39)37-34(20-8-21-34)26-16-12-24(13-17-26)29-30(25-9-5-4-6-10-25)38-22-7-11-28(31(38)36-29)23-14-18-27(35)19-15-23/h4-7,9-19,22H,8,20-21H2,1-3H3,(H,37,39)
InChIKeyUWGYVLHIBWLBNG-UHFFFAOYSA-N
MW533.65 g/mol
LogP8.38
Rot. Bonds5

About tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate (PubChem CID 66665651) has the molecular formula C34H32FN3O2 and a molecular weight of 533.65 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
PubChem CID66665651
Molecular FormulaC34H32FN3O2
Molecular Weight533.65 g/mol
Exact Mass533.25
IUPAC Nametert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4c(-c5ccc(F)cc5)cccn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C34H32FN3O2/c1-33(2,3)40-32(39)37-34(20-8-21-34)26-16-12-24(13-17-26)29-30(25-9-5-4-6-10-25)38-22-7-11-28(31(38)36-29)23-14-18-27(35)19-15-23/h4-7,9-19,22H,8,20-21H2,1-3H3,(H,37,39)
InChIKeyUWGYVLHIBWLBNG-UHFFFAOYSA-N
XLogP8.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.65
LogP ≤ 58.38
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-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate (CID 66665651) is tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4c(-c5ccc(F)cc5)cccn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is UWGYVLHIBWLBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O2/c1-33(2,3)40-32(39)37-34(20-8-21-34)26-16-12-24(13-17-26)29-30(25-9-5-4-6-10-25)38-22-7-11-28(31(38)36-29)23-14-18-27(35)19-15-23/h4-7,9-19,22H,8,20-21H2,1-3H3,(H,37,39).
What are the key properties of tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 533.65 g/mol, XLogP of 8.38, 5 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-[8-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 66665651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).