tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate

C26H32N4O5 — CID 19965394

IUPACtert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC(=O)c1ccc(-c2cn3cccc(NC(=O)OC(C)(C)C)c3n2)cc1
InChIInChI=1S/C26H32N4O5/c1-25(2,3)34-21(31)13-14-27-23(32)18-11-9-17(10-12-18)20-16-30-15-7-8-19(22(30)28-20)29-24(33)35-26(4,5)6/h7-12,15-16H,13-14H2,1-6H3,(H,27,32)(H,29,33)
InChIKeyUXISLTIMDSDGQP-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.81
Rot. Bonds6

About tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate

tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate (PubChem CID 19965394) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate
PubChem CID19965394
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Nametert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC(=O)c1ccc(-c2cn3cccc(NC(=O)OC(C)(C)C)c3n2)cc1
InChIInChI=1S/C26H32N4O5/c1-25(2,3)34-21(31)13-14-27-23(32)18-11-9-17(10-12-18)20-16-30-15-7-8-19(22(30)28-20)29-24(33)35-26(4,5)6/h7-12,15-16H,13-14H2,1-6H3,(H,27,32)(H,29,33)
InChIKeyUXISLTIMDSDGQP-UHFFFAOYSA-N
XLogP4.81
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate with MolForge

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Related Compounds

4-[8-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 19965273
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[3-oxo-3-[2-[(4-phenylbenzoyl)amino]anilino]propyl]carbamate
CID 108920192
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
CID 122483314
N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide
CID 132916096
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methylbenzamide
CID 122323314
4-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055671
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
CID 78893994
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
CID 145482017
tert-butyl N-[3-[2-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108920191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate (CID 19965394) is tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate is CC(C)(C)OC(=O)CCNC(=O)c1ccc(-c2cn3cccc(NC(=O)OC(C)(C)C)c3n2)cc1.
What is the InChIKey of tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate?
The InChIKey is UXISLTIMDSDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-25(2,3)34-21(31)13-14-27-23(32)18-11-9-17(10-12-18)20-16-30-15-7-8-19(22(30)28-20)29-24(33)35-26(4,5)6/h7-12,15-16H,13-14H2,1-6H3,(H,27,32)(H,29,33).
What are the key properties of tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate?
tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate has a molecular weight of 480.57 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate is sourced from PubChem (CID 19965394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).