tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H24N4O3 — CID 171945537

IUPACtert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3cnccn13)C2
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-13-4-5-14(23)9-12(8-13)17(24)15-10-21-16-11-20-6-7-22(15)16/h6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyXYPMHYMLZVJLAH-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171945537) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171945537
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3cnccn13)C2
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-13-4-5-14(23)9-12(8-13)17(24)15-10-21-16-11-20-6-7-22(15)16/h6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyXYPMHYMLZVJLAH-UHFFFAOYSA-N
XLogP3.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

Butyl 3-[8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71240730
tert-butyl (1R,5S)-3-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 123218940
tert-butyl (1R,5S)-3-[8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 123306873
2-Butyl-1-imidazo[1,2-a]pyrazin-3-ylhexan-1-one
CID 154612471
1-Imidazo[1,2-a]pyrazin-2-yl-2-propylhexan-1-one
CID 169687779
Tert-butyl 3-(3-methylimidazole-4-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937504
Tert-butyl 3-(3-methylimidazole-4-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937515
Tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945512
8-Azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
CID 171945535
Imidazo[1,2-a]pyrazin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171945536
Imidazo[1,2-a]pyrazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945546
Tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945548

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171945537) is tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3cnccn13)C2.
What is the InChIKey of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is XYPMHYMLZVJLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-13-4-5-14(23)9-12(8-13)17(24)15-10-21-16-11-20-6-7-22(15)16/h6-7,10-14H,4-5,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171945537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).