tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate

C30H38N4O5 — CID 19965383

IUPACtert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)NCc1ccc2nc(-c3ccc(C(=O)N4CCC(C(=O)OC(C)(C)C)CC4)cc3)cn2c1
InChIInChI=1S/C30H38N4O5/c1-29(2,3)38-27(36)23-13-15-33(16-14-23)26(35)22-10-8-21(9-11-22)24-19-34-18-20(7-12-25(34)32-24)17-31-28(37)39-30(4,5)6/h7-12,18-19,23H,13-17H2,1-6H3,(H,31,37)
InChIKeyVYDXNKBIAWORPC-UHFFFAOYSA-N
MW534.66 g/mol
LogP5.22
Rot. Bonds5

About tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate

tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate (PubChem CID 19965383) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
PubChem CID19965383
Molecular FormulaC30H38N4O5
Molecular Weight534.66 g/mol
Exact Mass534.28
IUPAC Nametert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)NCc1ccc2nc(-c3ccc(C(=O)N4CCC(C(=O)OC(C)(C)C)CC4)cc3)cn2c1
InChIInChI=1S/C30H38N4O5/c1-29(2,3)38-27(36)23-13-15-33(16-14-23)26(35)22-10-8-21(9-11-22)24-19-34-18-20(7-12-25(34)32-24)17-31-28(37)39-30(4,5)6/h7-12,18-19,23H,13-17H2,1-6H3,(H,31,37)
InChIKeyVYDXNKBIAWORPC-UHFFFAOYSA-N
XLogP5.22
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
CID 19965332
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate
CID 67814505
[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
CID 22364124
tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 155190382
tert-butyl N-[3-oxo-3-[[1-(4-phenylbenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919215
ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
CID 121443369
tert-butyl N-[[4-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]phenyl]methyl]carbamate
CID 71829762
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
tert-butyl N-[[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]carbamate
CID 51559795

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate (CID 19965383) is tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate is CC(C)(C)OC(=O)NCc1ccc2nc(-c3ccc(C(=O)N4CCC(C(=O)OC(C)(C)C)CC4)cc3)cn2c1.
What is the InChIKey of tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate?
The InChIKey is VYDXNKBIAWORPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-29(2,3)38-27(36)23-13-15-33(16-14-23)26(35)22-10-8-21(9-11-22)24-19-34-18-20(7-12-25(34)32-24)17-31-28(37)39-30(4,5)6/h7-12,18-19,23H,13-17H2,1-6H3,(H,31,37).
What are the key properties of tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate?
tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate has a molecular weight of 534.66 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 19965383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).