tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate

C21H28N4O3 — CID 90012829

IUPACtert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CC2CNC(=O)c1ccc2nccn2c1
InChIInChI=1S/C21H28N4O3/c1-20(2,3)28-19(27)25-10-5-4-8-21(25)12-16(21)13-23-18(26)15-6-7-17-22-9-11-24(17)14-15/h6-7,9,11,14,16H,4-5,8,10,12-13H2,1-3H3,(H,23,26)
InChIKeyBWMYUGIKCQYVKK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 90012829) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID90012829
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Nametert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CC2CNC(=O)c1ccc2nccn2c1
InChIInChI=1S/C21H28N4O3/c1-20(2,3)28-19(27)25-10-5-4-8-21(25)12-16(21)13-23-18(26)15-6-7-17-22-9-11-24(17)14-15/h6-7,9,11,14,16H,4-5,8,10,12-13H2,1-3H3,(H,23,26)
InChIKeyBWMYUGIKCQYVKK-UHFFFAOYSA-N
XLogP3.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 71696727
tert-butyl 2-[[[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonylamino]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71736895
N-(3-hydroxy-2,2-dimethylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475104
tert-butyl 5-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CID 90011983
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 126774062
tert-butyl (3aR,6aR)-1-[4-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]phenyl]sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 140671030
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
N-[[4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 153192558
N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90013339
imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
CID 122152246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate (CID 90012829) is tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1CCCCC12CC2CNC(=O)c1ccc2nccn2c1.
What is the InChIKey of tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is BWMYUGIKCQYVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-20(2,3)28-19(27)25-10-5-4-8-21(25)12-16(21)13-23-18(26)15-6-7-17-22-9-11-24(17)14-15/h6-7,9,11,14,16H,4-5,8,10,12-13H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(imidazo[1,2-a]pyridine-6-carbonylamino)methyl]-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 90012829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).