tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate

C25H26N4O4 — CID 67814505

IUPACtert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate
SMILESCC(C)(C)OC(=O)OC1CCN(C(=O)c2ccc(-c3cn4cc(C#N)ccc4n3)cc2)CC1
InChIInChI=1S/C25H26N4O4/c1-25(2,3)33-24(31)32-20-10-12-28(13-11-20)23(30)19-7-5-18(6-8-19)21-16-29-15-17(14-26)4-9-22(29)27-21/h4-9,15-16,20H,10-13H2,1-3H3
InChIKeyWFOJJVNFISNMFQ-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.43
Rot. Bonds3

About tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate

tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate (PubChem CID 67814505) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate
PubChem CID67814505
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Nametert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate
SMILESCC(C)(C)OC(=O)OC1CCN(C(=O)c2ccc(-c3cn4cc(C#N)ccc4n3)cc2)CC1
InChIInChI=1S/C25H26N4O4/c1-25(2,3)33-24(31)32-20-10-12-28(13-11-20)23(30)19-7-5-18(6-8-19)21-16-29-15-17(14-26)4-9-22(29)27-21/h4-9,15-16,20H,10-13H2,1-3H3
InChIKeyWFOJJVNFISNMFQ-UHFFFAOYSA-N
XLogP4.43
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
CID 22364124
tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
CID 19965383
tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
CID 54128795
1-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperidine-4-carbonitrile
CID 70707501
2-(4-cyanophenyl)-N-cyclobutylimidazo[1,2-a]pyridine-6-carboxamide
CID 155597709
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598
2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060342
tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate
CID 90121756
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-(3-propoxypiperidin-1-yl)methanone
CID 72859474
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide
CID 158972370

Frequently Asked Questions

What is the IUPAC name of tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate?
The IUPAC name of tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate (CID 67814505) is tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate.
What is the SMILES notation for tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate?
The canonical SMILES for tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate is CC(C)(C)OC(=O)OC1CCN(C(=O)c2ccc(-c3cn4cc(C#N)ccc4n3)cc2)CC1.
What is the InChIKey of tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate?
The InChIKey is WFOJJVNFISNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-25(2,3)33-24(31)32-20-10-12-28(13-11-20)23(30)19-7-5-18(6-8-19)21-16-29-15-17(14-26)4-9-22(29)27-21/h4-9,15-16,20H,10-13H2,1-3H3.
What are the key properties of tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate?
tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate has a molecular weight of 446.51 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate is sourced from PubChem (CID 67814505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).